N-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine

1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-
1,3-Propanediamine, N1-[2-[2-(dimethylamino)ethoxy]ethyl]-N1-methyl-
Dabco NE 300
Maycat RA 3
N,N,N′-Trimethyl-N′-(3-aminopropyl) bis(aminoethyl) ether
N-(3-Aminopropyl)-N,N′,N′-trimethyl-2,2′-oxybis(ethylamine)
N-(3-Aminopropyl)-N,N′,N′-trimethyl-[2,2′-oxybis(ethanamine)]
N-[2-(2-Dimethylaminoethoxy)ethyl]-N-methyl-1,3-propanediamine
N1-[2-[2-(Dimethylamino)ethoxy]ethyl]-N1-methyl-1,3-propanediamine

Property	Value
InChI2D key string chemrof:inchi2d_key_string	DNRUQHYIUPKPOQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H25N3O/c1-12(2)7-9-14-10-8-13(3)6-4-5-11/h4-11H2,1-3H3
IUPAC name chemrof:IUPAC_name	1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-
Molecular formula chemrof:molecular_formula	C10H25N3O
Molecular mass chemrof:molecular_mass	203.33
Monoisotopic mass chemrof:monoisotopic_mass	203.199762
SMILES string chemrof:smiles_string	CN(C)CCOCCN(C)CCCN

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=189253-72-3	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID001019355	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.400.581J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/18945537	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q126604827	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
6963e203-4fec-432c-a749-a5f9f68e24ac	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
ef601d42-3627-47db-89c3-2fb564c40709	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
5181958e-c13b-4ecb-a329-2af886511f6e	Environmental → Air → Indoor	EF 3.1	kg	4
270bd2d8-89d4-4da5-bcde-38b994d91d82	Environmental → Air → Long-term	EF 3.1	kg	0
cee97483-a009-4d81-a54f-01ae4e091e06	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
eac786fa-7b54-4392-93b7-8ce28f04eb50	Environmental → Air → Unknown	EF 3.1	kg	4
52c754d4-45ae-462f-bb67-1e7be75cf5fe	Environmental → Ground → Agricultural	EF 3.1	kg	4
572619fd-15bf-4f08-8fb9-57caa66ca8c5	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
15dc3dac-7c58-4d0b-9b9d-0479ae9253d5	Environmental → Ground → Unknown	EF 3.1	kg	4
b663d0c9-20ca-4caa-a0d8-2e4910e86944	Environmental → Water → Long-term	EF 3.1	kg	0
536f80a0-a660-437c-ac5b-048cb1ba3da6	Environmental → Water → Ocean	EF 3.1	kg	4
7208052d-ec76-436f-8e18-0481b56f9c0d	Environmental → Water → Surface water	EF 3.1	kg	4
0cebccb6-ae8e-40dd-8496-3d1f3889023f	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-e3e8986ea9329af5",
  "prefLabel": [
    {
      "@value": "N-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine",
      "@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": "1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:189253-72-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediamine, N1-[2-[2-(dimethylamino)ethoxy]ethyl]-N1-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:189253-72-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dabco NE 300",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:189253-72-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Maycat RA 3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:189253-72-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N,N′-Trimethyl-N′-(3-aminopropyl) bis(aminoethyl) ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:189253-72-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(3-Aminopropyl)-N,N′,N′-trimethyl-2,2′-oxybis(ethylamine)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:189253-72-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(3-Aminopropyl)-N,N′,N′-trimethyl-[2,2′-oxybis(ethanamine)]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:189253-72-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-[2-(2-Dimethylaminoethoxy)ethyl]-N-methyl-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:189253-72-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N1-[2-[2-(Dimethylamino)ethoxy]ethyl]-N1-methyl-1,3-propanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:189253-72-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H25N3O"
      ],
      "attested_by": {
        "C10H25N3O": [
          "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:18945537"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCOCCN(C)CCCN"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DNRUQHYIUPKPOQ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "DNRUQHYIUPKPOQ-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:18945537"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCOCCN(C)CCCN"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CN(C)CCOCCN(C)CCCN"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCOCCN(C)CCCN"
          ]
        }
      ],
      "attested_by": {
        "CN(C)CCOCCN(C)CCCN": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H25N3O/c1-12(2)7-9-14-10-8-13(3)6-4-5-11/h4-11H2,1-3H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCOCCN(C)CCCN"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H25N3O/c1-12(2)7-9-14-10-8-13(3)6-4-5-11/h4-11H2,1-3H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-"
        ]
      },
      "attested_by": {
        "1,3-Propanediamine, N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methyl-": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        203.33
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCOCCN(C)CCCN"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCOCCN(C)CCCN"
          ]
        }
      ],
      "attested_by": {
        "203.33": [
          "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": [
        203.199762
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCOCCN(C)CCCN"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CN(C)CCOCCN(C)CCCN"
          ]
        }
      ],
      "attested_by": {
        "203.199762": [
          "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=J2.400.581J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18945537;CAS:189253-72-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[189253-72-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18945537;CAS:189253-72-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[189253-72-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID001019355",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18945537;CAS:189253-72-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[189253-72-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/18945537",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18945537;CAS:189253-72-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[189253-72-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126604827",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18945537;CAS:189253-72-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[189253-72-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0cebccb6-ae8e-40dd-8496-3d1f3889023f",
    "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": [
        "189253-72-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=189253-72-3"
        }
      ],
      "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": [
        "470-720-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=470-720-1"
      ],
      "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

N-(2-(dimethylamino)ethoxy)ethyl)-n-methyl-1,3-propanediamine

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard