N-isopropyl-2-methylacrylamide

2-Methyl-N-(1-methylethyl)-2-propenamide
2-Methyl-N-(propan-2-yl)prop-2-enamide
2-Methyl-N-propan-2-ylprop-2-enamide
2-Propenamide, 2-methyl-N-(1-methylethyl)-
Acrylamide, N-isopropyl-2-methyl-
N-Isopropylmethacrylamide
NIPMAM

Property	Value
InChI2D key string chemrof:inchi2d_key_string	YQIGLEFUZMIVHU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)
IUPAC name chemrof:IUPAC_name	N-isopropyl-2-methylacrylamide
Molecular formula chemrof:molecular_formula	C7H13NO
Molecular mass chemrof:molecular_mass	127.187
Monoisotopic mass chemrof:monoisotopic_mass	127.099714
SMILES string chemrof:smiles_string	C=C(C)C(=O)NC(C)C

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=13749-61-6	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=66004-95-3	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.033.923	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID50160204	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/32216XNO4Q	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J278.030E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/83698	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27256119	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c6b96104-3ec5-46e7-b557-acf1403b2c99	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
1a63f257-e04e-4b8e-9590-e59ff232fbdd	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
d9a5b918-a287-4ba7-9dab-dec4806ef98b	Environmental → Air → Indoor	EF 3.1	kg	4
9e22c548-a8df-49ac-b455-a3c5acdc37fd	Environmental → Air → Long-term	EF 3.1	kg	0
94b31fba-0d78-4d26-8429-68af3c532dc8	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
6b4f8c65-0e5b-4528-97b5-45ee1dc7d9e1	Environmental → Air → Unknown	EF 3.1	kg	4
ea9fccf4-56fc-4fdb-b782-9af0d499ca20	Environmental → Ground → Agricultural	EF 3.1	kg	4
5bc4cc26-3800-49c4-bc84-58d00112ba70	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
fa8f7780-6238-404c-95f6-401ab6d83751	Environmental → Ground → Unknown	EF 3.1	kg	4
85b64244-5a4b-4db0-8743-14120aa15c09	Environmental → Water → Long-term	EF 3.1	kg	0
068d4110-b827-4887-988b-0c9f2e2b39af	Environmental → Water → Ocean	EF 3.1	kg	4
15797fad-83ab-422d-86fd-76042d4008c8	Environmental → Water → Surface water	EF 3.1	kg	4
322075e6-6a77-4551-9291-d199b50ea0c1	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-ba4816afbbd027d2",
  "prefLabel": [
    {
      "@value": "N-isopropyl-2-methylacrylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Methyl-N-(1-methylethyl)-2-propenamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13749-61-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-N-(propan-2-yl)prop-2-enamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13749-61-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-N-propan-2-ylprop-2-enamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13749-61-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenamide, 2-methyl-N-(1-methylethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13749-61-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrylamide, N-isopropyl-2-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13749-61-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Isopropylmethacrylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13749-61-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NIPMAM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:13749-61-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H13NO"
      ],
      "attested_by": {
        "C7H13NO": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:83698"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)NC(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YQIGLEFUZMIVHU-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "YQIGLEFUZMIVHU-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:83698"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)NC(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C=C(C)C(=O)NC(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-isopropyl-2-methylacrylamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)NC(C)C"
          ]
        }
      ],
      "attested_by": {
        "C=C(C)C(=O)NC(C)C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-isopropyl-2-methylacrylamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)NC(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N-isopropyl-2-methylacrylamide"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "N-isopropyl-2-methylacrylamide"
        ]
      },
      "attested_by": {
        "N-isopropyl-2-methylacrylamide": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        127.187
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NC(=O)C(=C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)NC(C)C"
          ]
        }
      ],
      "attested_by": {
        "127.187": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        127.099714
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NC(=O)C(=C)C"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C(C)C(=O)NC(C)C"
          ]
        }
      ],
      "attested_by": {
        "127.099714": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J278.030E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83698;CAS:13749-61-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13749-61-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.033.923",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83698;CAS:13749-61-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13749-61-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83698;CAS:13749-61-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13749-61-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=66004-95-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83698;CAS:13749-61-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13749-61-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50160204",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83698;CAS:13749-61-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13749-61-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/32216XNO4Q",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83698;CAS:13749-61-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13749-61-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/83698",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83698;CAS:13749-61-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[13749-61-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27256119",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:83698;CAS:13749-61-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[13749-61-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "068d4110-b827-4887-988b-0c9f2e2b39af",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "13749-61-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=13749-61-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "237-331-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=237-331-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

N-isopropyl-2-methylacrylamide

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard