N-hydroxypropan-2-amine

2-Propanamine, N-hydroxy-
Hydroguard I 15
Hydroxylamine, N-isopropyl-
Isopropyl hydroxyamine
Isopropylhydroxylamine
N-Hydroxy-2-propanamine
N-Isopropylhydroxylamine

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ODHYIQOBTIWVRZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3
IUPAC name chemrof:IUPAC_name	N-hydroxypropan-2-amine
Molecular formula chemrof:molecular_formula	C3H9NO
Molecular mass chemrof:molecular_mass	75.111
Monoisotopic mass chemrof:monoisotopic_mass	75.068414
SMILES string chemrof:smiles_string	CC(C)NO

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=5080-22-8	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.023.447	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6063694	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL140282	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3NT440V34T	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J203.284H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/78763	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27257766	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
77ec7667-1bb2-41a3-9dbb-e074e8ec50e2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
46dd6382-c633-4cd3-8a90-95d178287ca3	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
b4271015-a65e-4011-9d6f-0a53a8e3df29	Environmental → Air → Indoor	EF 3.1	kg	4
9ff901af-dba5-4f37-9d32-739b21fcc5f1	Environmental → Air → Long-term	EF 3.1	kg	0
d3741b5a-e723-41eb-822e-848b4bace9e8	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
206a70c4-5f75-43f0-bcdf-8feda7327d85	Environmental → Air → Unknown	EF 3.1	kg	4
8cb3e804-ba47-4b1e-a721-bd041ef71f18	Environmental → Ground → Agricultural	EF 3.1	kg	4
0cc66e2d-6d27-4722-b0f1-af087a2c29fd	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
96208a66-36ea-42f4-890d-ebc15539c9c3	Environmental → Ground → Unknown	EF 3.1	kg	4
0d75f4a6-3a9b-4625-b0bd-453ab7017b33	Environmental → Water → Long-term	EF 3.1	kg	0
402038f0-4752-44e9-a453-31a7f02c7941	Environmental → Water → Ocean	EF 3.1	kg	4
2ce71c03-c536-41ea-aa31-9d11cfa699c5	Environmental → Water → Surface water	EF 3.1	kg	4
7bbec1f3-280d-415e-84c6-1520b306d12b	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-f94bb26dd4510ea7",
  "prefLabel": [
    {
      "@value": "N-hydroxypropan-2-amine",
      "@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-Propanamine, N-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5080-22-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroguard I 15",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5080-22-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroxylamine, N-isopropyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5080-22-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isopropyl hydroxyamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5080-22-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isopropylhydroxylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5080-22-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Hydroxy-2-propanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5080-22-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Isopropylhydroxylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5080-22-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H9NO"
      ],
      "attested_by": {
        "C3H9NO": [
          "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:78763"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NO"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ODHYIQOBTIWVRZ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "ODHYIQOBTIWVRZ-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:78763"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NO"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)NO"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-hydroxypropan-2-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NO"
          ]
        }
      ],
      "attested_by": {
        "CC(C)NO": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-hydroxypropan-2-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NO"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N-hydroxypropan-2-amine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "N-hydroxypropan-2-amine"
        ]
      },
      "attested_by": {
        "N-hydroxypropan-2-amine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        75.111
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NO"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NO"
          ]
        }
      ],
      "attested_by": {
        "75.111": [
          "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": [
        75.068414
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NO"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)NO"
          ]
        }
      ],
      "attested_by": {
        "75.068414": [
          "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=J203.284H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:78763;CAS:5080-22-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5080-22-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.023.447",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:78763;CAS:5080-22-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5080-22-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:78763;CAS:5080-22-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5080-22-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6063694",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:78763;CAS:5080-22-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5080-22-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3NT440V34T",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:78763;CAS:5080-22-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5080-22-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/78763",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:78763;CAS:5080-22-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5080-22-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL140282",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:78763;CAS:5080-22-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5080-22-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27257766",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:78763;CAS:5080-22-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5080-22-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0cc66e2d-6d27-4722-b0f1-af087a2c29fd",
    "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": [
        "5080-22-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5080-22-8"
        }
      ],
      "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": [
        "225-791-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=225-791-1"
      ],
      "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-hydroxypropan-2-amine

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard