N-(tetrahydrofuran-3-ylmethyl)amine

(Oxolan-3-yl)methanamine
(Tetrahydrofuran-3-yl)methanamine
1-(Oxolan-3-yl)methanamine
1-(Tetrahydrofuran-3-yl)methanamine
3-Aminomethyltetrahydrofuran
3-Furanmethanamine, tetrahydro-
[(Tetrahydrofuran-3-yl)methyl]amine
N-(3-Tetrahydrofurylmethyl)amine
Oxolan-3-ylmethylamine
Tetrahydro-3-furanmethanamine

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CINJIXGRSTYIHP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H11NO/c6-3-5-1-2-7-4-5/h5H,1-4,6H2
IUPAC name chemrof:IUPAC_name	N-(tetrahydrofuran-3-ylmethyl)amine
Molecular formula chemrof:molecular_formula	C5H11NO
Molecular mass chemrof:molecular_mass	101.149
Monoisotopic mass chemrof:monoisotopic_mass	101.084064
SMILES string chemrof:smiles_string	NCC1CCOC1

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=165253-31-6	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID30447520	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.801.509I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10898660	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72439689	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d37c3715-5360-4b42-b2b8-55bc09604b13	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
36b60edd-8d94-4244-a791-0eb7832c2d48	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
52fdfdb0-11f6-4896-a802-eb7dfc5abc9c	Environmental → Air → Indoor	EF 3.1	kg	4
d43b932b-5631-4d5e-a178-945ad3473da3	Environmental → Air → Long-term	EF 3.1	kg	0
d428a386-ae3f-461d-b6d4-c1292eb72b0e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
e58bb4b2-d00d-4a09-839d-dccc7250f7e9	Environmental → Air → Unknown	EF 3.1	kg	4
ae9170ac-23d0-45c8-bfc2-94dd4ca206e3	Environmental → Ground → Agricultural	EF 3.1	kg	4
b2707d5b-2b0c-40ce-ae3f-4e16ac27346b	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
3dff92dc-07be-49f2-ba6a-a7dacaeee04b	Environmental → Ground → Unknown	EF 3.1	kg	4
cbd46994-7413-4555-886d-5ed9e9ff3e64	Environmental → Water → Long-term	EF 3.1	kg	0
289ccd92-78ad-4807-ab2d-e04eca4d75dd	Environmental → Water → Ocean	EF 3.1	kg	4
ca353b32-776b-4a03-b749-b7070a07d5b6	Environmental → Water → Surface water	EF 3.1	kg	4
d746b793-5a05-4a34-bc07-57a83abf4d61	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-02b9dc5407870ce9",
  "prefLabel": [
    {
      "@value": "N-(tetrahydrofuran-3-ylmethyl)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": "(Oxolan-3-yl)methanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Tetrahydrofuran-3-yl)methanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(Oxolan-3-yl)methanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(Tetrahydrofuran-3-yl)methanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Aminomethyltetrahydrofuran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Furanmethanamine, tetrahydro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[(Tetrahydrofuran-3-yl)methyl]amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(3-Tetrahydrofurylmethyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxolan-3-ylmethylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrahydro-3-furanmethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:165253-31-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5H11NO"
      ],
      "attested_by": {
        "C5H11NO": [
          "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:10898660"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NCC1CCOC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CINJIXGRSTYIHP-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "CINJIXGRSTYIHP-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:10898660"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NCC1CCOC1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "NCC1CCOC1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-(tetrahydrofuran-3-ylmethyl)amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NCC1CCOC1"
          ]
        }
      ],
      "attested_by": {
        "NCC1CCOC1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C5H11NO/c6-3-5-1-2-7-4-5/h5H,1-4,6H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-(tetrahydrofuran-3-ylmethyl)amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NCC1CCOC1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C5H11NO/c6-3-5-1-2-7-4-5/h5H,1-4,6H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N-(tetrahydrofuran-3-ylmethyl)amine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "N-(tetrahydrofuran-3-ylmethyl)amine"
        ]
      },
      "attested_by": {
        "N-(tetrahydrofuran-3-ylmethyl)amine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        101.149
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1COCC1CN"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NCC1CCOC1"
          ]
        }
      ],
      "attested_by": {
        "101.149": [
          "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": [
        101.084064
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1COCC1CN"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NCC1CCOC1"
          ]
        }
      ],
      "attested_by": {
        "101.084064": [
          "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=J1.801.509I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10898660;CAS:165253-31-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[165253-31-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10898660;CAS:165253-31-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[165253-31-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID30447520",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10898660;CAS:165253-31-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[165253-31-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10898660",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10898660;CAS:165253-31-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[165253-31-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72439689",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10898660;CAS:165253-31-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[165253-31-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "289ccd92-78ad-4807-ab2d-e04eca4d75dd",
    "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": [
        "165253-31-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=165253-31-6"
        }
      ],
      "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": [
        "676-405-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=676-405-7"
      ],
      "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"
  ]
}

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

N-(tetrahydrofuran-3-ylmethyl)amine

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard