Consensus flow list

Identity

Type
Neutral molecule
CAS
35123-06-9
EC
609-066-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-hydroxy-n,n-dimethyl-propanamide

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YEBLAXBYYVCOLT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H11NO2/c1-4(7)5(8)6(2)3/h4,7H,1-3H3
IUPAC name chemrof:IUPAC_name 2-Hydroxy-N,N-dimethylpropanamide
Molecular formula chemrof:molecular_formula C5H11NO2
Molecular mass chemrof:molecular_mass 117.148
Monoisotopic mass chemrof:monoisotopic_mass 117.078979
SMILES string chemrof:smiles_string CC(O)C(=O)N(C)C

Known URLs

7

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=35123-06-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.568 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50885607 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=72728 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.606.160C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/98053 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72483896 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6b86a5c1-2521-4651-9cad-8e922b09ca77 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c0e40ed0-ea56-49ed-b33b-c6733ef251e8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8ff49144-b8f3-4b75-819a-ef08ef58ff89 Environmental → Air → Indoor EF 3.1 kg 4
7af3d276-bb1f-49c1-87e1-aa7f6c6ac165 Environmental → Air → Long-term EF 3.1 kg 0
e8236917-9412-43f6-b334-cd42a00fddaa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
653d7dec-7e14-40a1-a8da-a22fc8bdf81c Environmental → Air → Unknown EF 3.1 kg 4
8580f748-9045-4db5-a551-88125b85ad25 Environmental → Ground → Agricultural EF 3.1 kg 4
379af2ba-953d-432e-8037-d21b090b352e Environmental → Ground → Non-agricultural EF 3.1 kg 4
9a3e897e-bca1-4d6f-bdd9-e5074ff7a022 Environmental → Ground → Unknown EF 3.1 kg 4
a7ccf1e0-7917-403c-98d5-2ab0f913b578 Environmental → Water → Long-term EF 3.1 kg 0
08ad5632-7340-4772-b6fa-5c347145507e Environmental → Water → Ocean EF 3.1 kg 4
b7e4dd0c-7a9d-4f3a-9801-38b285264d50 Environmental → Water → Surface water EF 3.1 kg 4
2ac4ad93-4af4-45ab-8463-f6e015fe7dca Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ec445b47f5046779",
  "prefLabel": [
    {
      "@value": "2-hydroxy-n,n-dimethyl-propanamide",
      "@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-Hydroxy-N,N-dimethylpropanamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35123-06-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=35123-06-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Agnique AMD 3L",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35123-06-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=35123-06-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyllactamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35123-06-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=35123-06-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lactamide, N,N-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35123-06-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=35123-06-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Dimethyllactamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35123-06-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=35123-06-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanamide, 2-hydroxy-N,N-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:35123-06-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=35123-06-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5H11NO2"
      ],
      "attested_by": {
        "C5H11NO2": [
          "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:98053"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)C(=O)N(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YEBLAXBYYVCOLT-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "YEBLAXBYYVCOLT-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:98053"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)C(=O)N(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(O)C(=O)N(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-Hydroxy-N,N-dimethylpropanamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)C(=O)N(C)C"
          ]
        }
      ],
      "attested_by": {
        "CC(O)C(=O)N(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/C5H11NO2/c1-4(7)5(8)6(2)3/h4,7H,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-Hydroxy-N,N-dimethylpropanamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)C(=O)N(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C5H11NO2/c1-4(7)5(8)6(2)3/h4,7H,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-Hydroxy-N,N-dimethylpropanamide"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-Hydroxy-N,N-dimethylpropanamide"
        ]
      },
      "attested_by": {
        "2-Hydroxy-N,N-dimethylpropanamide": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        117.148
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C(=O)N(C)C)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)C(=O)N(C)C"
          ]
        }
      ],
      "attested_by": {
        "117.148": [
          "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": [
        117.078979
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C(=O)N(C)C)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)C(=O)N(C)C"
          ]
        }
      ],
      "attested_by": {
        "117.078979": [
          "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=J1.606.160C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:98053;CAS:35123-06-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35123-06-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.132.568",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:98053;CAS:35123-06-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35123-06-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=35123-06-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:98053;CAS:35123-06-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35123-06-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50885607",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:98053;CAS:35123-06-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35123-06-9]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=72728",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:98053;CAS:35123-06-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35123-06-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/98053",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:98053;CAS:35123-06-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[35123-06-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72483896",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:98053;CAS:35123-06-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[35123-06-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "08ad5632-7340-4772-b6fa-5c347145507e",
    "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": [
        "35123-06-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=35123-06-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=35123-06-9"
        }
      ],
      "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": [
        "609-066-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=609-066-0"
      ],
      "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"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.