1,1'-(methylimino)dipropan-2-ol

1,1′-(Methylimino)bis[2-propanol]
1,1′-(N-Methylimino)di(2-propanol)
1-[(2-Hydroxypropyl)(methyl)amino]propan-2-ol
1-[2-Hydroxypropyl(methyl)amino]propan-2-ol
2-Propanol, 1,1′-(methylimino)bis-
2-Propanol, 1,1′-(methylimino)di-
[Bis(2-hydroxypropyl)amino]methane
Bis(2-hydroxypropyl)methylamine
Methylbis(2-hydroxypropyl)amine
Methyldiisopropanolamine
N,N-Bis(2-hydroxypropyl)methylamine
N-Methylbis(2-hydroxypropyl)amine
N-Methyldiisopropanolamine

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XKQMKMVTDKYWOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H17NO2/c1-6(9)4-8(3)5-7(2)10/h6-7,9-10H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name	1,1'-(methylimino)dipropan-2-ol
Molecular formula chemrof:molecular_formula	C7H17NO2
Molecular mass chemrof:molecular_mass	147.218
Monoisotopic mass chemrof:monoisotopic_mass	147.125929
SMILES string chemrof:smiles_string	CC(O)CN(C)CC(C)O

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=4402-30-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.022.307	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID80883550	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27467	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.312G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/95655	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q82862473	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
2d07deb0-b20b-411c-bd38-f935b553723d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f46eaa0c-f353-4452-b8a6-e0e9d8e87cae	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
e6d1a7c5-0225-4922-8f6c-6924916f466b	Environmental → Air → Indoor	EF 3.1	kg	2
2998d0c9-0d0b-4c29-8f6f-9293a083f443	Environmental → Air → Long-term	EF 3.1	kg	0
297afa55-d599-4f03-8ebf-d37dd200afed	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
e513f63b-0b9f-4fca-95f7-97ea9518c797	Environmental → Air → Unknown	EF 3.1	kg	2
81a6606a-7d46-4167-b6af-0c03e0ce4206	Environmental → Ground → Agricultural	EF 3.1	kg	2
a94e7b26-4e5d-45aa-9b08-b8402b0972cf	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
f02cd11c-939a-47c7-b684-3f42bb733a58	Environmental → Ground → Unknown	EF 3.1	kg	2
94354616-2965-48f9-97e8-fd139bf4b94e	Environmental → Water → Long-term	EF 3.1	kg	0
7cb5b29f-ae50-4be0-85bd-8bd996475959	Environmental → Water → Ocean	EF 3.1	kg	2
3837cf2e-99ab-43ab-92ad-874f0be61679	Environmental → Water → Surface water	EF 3.1	kg	2
4ad5d2ea-c7b9-45cc-8330-769010f48b6a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-0fc6d661d0d8a378",
  "prefLabel": [
    {
      "@value": "1,1'-(methylimino)dipropan-2-ol",
      "@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": "1,1′-(Methylimino)bis[2-propanol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1′-(N-Methylimino)di(2-propanol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-[(2-Hydroxypropyl)(methyl)amino]propan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-[2-Hydroxypropyl(methyl)amino]propan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1,1′-(methylimino)bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1,1′-(methylimino)di-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[Bis(2-hydroxypropyl)amino]methane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(2-hydroxypropyl)methylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylbis(2-hydroxypropyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyldiisopropanolamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Bis(2-hydroxypropyl)methylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Methylbis(2-hydroxypropyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Methyldiisopropanolamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4402-30-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H17NO2"
      ],
      "attested_by": {
        "C7H17NO2": [
          "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:95655"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)CN(C)CC(C)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XKQMKMVTDKYWOX-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "XKQMKMVTDKYWOX-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:95655"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)CN(C)CC(C)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(O)CN(C)CC(C)O"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1'-(methylimino)dipropan-2-ol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)CN(C)CC(C)O"
          ]
        }
      ],
      "attested_by": {
        "CC(O)CN(C)CC(C)O": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H17NO2/c1-6(9)4-8(3)5-7(2)10/h6-7,9-10H,4-5H2,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1'-(methylimino)dipropan-2-ol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)CN(C)CC(C)O"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H17NO2/c1-6(9)4-8(3)5-7(2)10/h6-7,9-10H,4-5H2,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,1'-(methylimino)dipropan-2-ol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,1'-(methylimino)dipropan-2-ol"
        ]
      },
      "attested_by": {
        "1,1'-(methylimino)dipropan-2-ol": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        147.218
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CN(C)CC(C)O)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)CN(C)CC(C)O"
          ]
        }
      ],
      "attested_by": {
        "147.218": [
          "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": [
        147.125929
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CN(C)CC(C)O)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(O)CN(C)CC(C)O"
          ]
        }
      ],
      "attested_by": {
        "147.125929": [
          "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=J111.312G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95655;CAS:4402-30-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4402-30-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.022.307",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95655;CAS:4402-30-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4402-30-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4402-30-6"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID80883550",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95655;CAS:4402-30-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4402-30-6]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27467",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95655;CAS:4402-30-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4402-30-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/95655",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95655;CAS:4402-30-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[4402-30-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82862473",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95655;CAS:4402-30-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4402-30-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "297afa55-d599-4f03-8ebf-d37dd200afed",
    "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": [
        "4402-30-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=4402-30-6"
        }
      ],
      "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": [
        "224-536-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=224-536-1"
      ],
      "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"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

1,1'-(methylimino)dipropan-2-ol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard