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1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol

fo-588fc57952f695f3

Identity

Type
Neutral molecule
CAS
62889-66-1
EC
613-099-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WFAMPSHDEGZREP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(16-18(2)21)17-19(3)22/h18-19,21-22H,4-17H2,1-3H3
IUPAC name chemrof:IUPAC_name 1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol
Molecular formula chemrof:molecular_formula C19H41NO2
Molecular mass chemrof:molecular_mass 315.542
Monoisotopic mass chemrof:monoisotopic_mass 315.31373
SMILES string chemrof:smiles_string CCCCCCCCCCCCCN(CC(C)O)CC(C)O

Known URLs

5

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=62889-66-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.925 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901036350 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21388520 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126612539 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6d9f43ee-ddd7-40ec-ad10-ad630b67e40b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b7d8557b-9301-41a0-ae53-e12aad70c5c1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d4a45d6c-21e6-461e-acfe-b4fcf2ba4251 Environmental → Air → Indoor EF 3.1 kg 4
59e5cc12-dadb-4cdb-abae-717b48d1a847 Environmental → Air → Long-term EF 3.1 kg 0
f62a0d18-3451-4dd9-b9b1-4aea4a49f911 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7bb88d7b-822c-4939-bc9b-9ee8c04bb179 Environmental → Air → Unknown EF 3.1 kg 4
e7e17825-7334-4624-8b81-8ffd9933496a Environmental → Ground → Agricultural EF 3.1 kg 4
05589e7f-e4b2-41fd-9ff9-f30f8ee337a5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
04e4f35f-bc7a-41f9-a2c1-455b1dc9320d Environmental → Ground → Unknown EF 3.1 kg 4
a57698e9-137b-45c7-a6fa-52a64ce6d3e5 Environmental → Water → Long-term EF 3.1 kg 0
04e2b8ca-d9cd-4854-a7a4-60c2cb5150b7 Environmental → Water → Ocean EF 3.1 kg 4
099e4bbc-b2aa-4e5b-b3cf-27a51bdb25e5 Environmental → Water → Surface water EF 3.1 kg 4
fc598af9-f5f9-4d98-afe9-3ef1edb5b2b5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-588fc57952f695f3",
  "prefLabel": [
    {
      "@value": "1-[(2-hydroxypropyl)(tridecyl)amino]propan-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′-(Tridecylimino)bis[2-propanol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=62889-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1,1′-(tridecylimino)bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=62889-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1,1′-(tridecylimino)di-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tridecylbis(2-hydroxypropyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=62889-66-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C19H41NO2"
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        "WFAMPSHDEGZREP-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCCN(CC(C)O)CC(C)O"
      ],
      "provenance": [
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          ]
        },
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            "CCCCCCCCCCCCCN(CC(C)O)CC(C)O"
          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCN(CC(C)O)CC(C)O"
          ]
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      "attested_by": {
        "InChI=1S/C19H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(16-18(2)21)17-19(3)22/h18-19,21-22H,4-17H2,1-3H3": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1-[(2-hydroxypropyl)(tridecyl)amino]propan-2-ol"
      ],
      "provenance": {
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      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      "provenance": [
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            "CCCCCCCCCCCCCN(CC(C)O)CC(C)O"
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCN(CC(C)O)CC(C)O"
          ]
        }
      ],
      "attested_by": {
        "315.542": [
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        ]
      },
      "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": [
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      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCN(CC(C)O)CC(C)O"
          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCN(CC(C)O)CC(C)O"
          ]
        }
      ],
      "attested_by": {
        "315.31373": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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      "provenance": {
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        ],
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      }
    },
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    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[62889-66-1]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "04e2b8ca-d9cd-4854-a7a4-60c2cb5150b7",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
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  },
  "classifications": {
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      "@value": [
        "62889-66-1"
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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