1,2-bis(2-aminophenoxy)ethane

1,2,7,8-Dibenzo-1,8-diamino-3,6-dioxaoctane
1,2-Bis(o-aminophenoxy)ethane
1,2-Bis[2-aminophenoxy]ethane
1,2-Di(o-aminophenoxy)ethane
2,2′-(Ethylenedioxy)dianiline
2,2′-[1,2-Ethanediylbis(oxy)]bis[benzenamine]
2-[2-(2-Aminophenoxy)ethoxy]aniline
Aniline, 2,2′-(ethylenedioxy)di-
Benzenamine, 2,2′-[1,2-ethanediylbis(oxy)]bis-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PSDFQEVOCCOOET-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H16N2O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
IUPAC name chemrof:IUPAC_name	1,2-bis(2-aminophenoxy)ethane
Molecular formula chemrof:molecular_formula	C14H16N2O2
Molecular mass chemrof:molecular_mass	244.294
Monoisotopic mass chemrof:monoisotopic_mass	244.121178
SMILES string chemrof:smiles_string	Nc1ccccc1OCCOc1ccccc1N

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=52411-34-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.104.674	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.113.556	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID00365262	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1708016	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EE2HG8UFW4	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.576.443K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/1811074	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72474734	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
81b58a76-01ac-4a8e-8d0c-c576c93cbfbe	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
091f28ad-d35f-4b81-8f1e-cf925fbfdb35	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
e159e1c1-6409-4aa5-a512-4318437ec20b	Environmental → Air → Indoor	EF 3.1	kg	4
5790ffee-03ad-485a-8f9a-20df178d782b	Environmental → Air → Long-term	EF 3.1	kg	0
5db5124d-1e55-4d8b-9294-fc1e0b6676b5	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
5e9da082-621b-4004-8380-619d45895b06	Environmental → Air → Unknown	EF 3.1	kg	4
e7352b75-4c9f-4683-848b-afbcda4808d2	Environmental → Ground → Agricultural	EF 3.1	kg	4
271eef8f-5bc9-4b49-80c1-de1c8b93e580	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
0e1a349e-3fe0-47c8-b627-4c013f407f92	Environmental → Ground → Unknown	EF 3.1	kg	4
89be5a8a-4b23-484e-af6a-44658941d3ba	Environmental → Water → Long-term	EF 3.1	kg	0
ad415f73-f7d5-43ea-b3b3-908638ed84c6	Environmental → Water → Ocean	EF 3.1	kg	4
a70ae05c-1173-4597-a97e-0f929697f451	Environmental → Water → Surface water	EF 3.1	kg	4
3d56896c-9c72-40c7-87f3-9dad870ffe5c	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-b8758dff680eac08",
  "prefLabel": [
    {
      "@value": "1,2-bis(2-aminophenoxy)ethane",
      "@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": "1,2,7,8-Dibenzo-1,8-diamino-3,6-dioxaoctane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52411-34-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Bis(o-aminophenoxy)ethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52411-34-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Bis[2-aminophenoxy]ethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52411-34-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Di(o-aminophenoxy)ethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52411-34-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-(Ethylenedioxy)dianiline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52411-34-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-[1,2-Ethanediylbis(oxy)]bis[benzenamine]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52411-34-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[2-(2-Aminophenoxy)ethoxy]aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52411-34-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, 2,2′-(ethylenedioxy)di-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52411-34-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 2,2′-[1,2-ethanediylbis(oxy)]bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52411-34-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H16N2O2"
      ],
      "attested_by": {
        "C14H16N2O2": [
          "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:1811074"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccccc1OCCOc1ccccc1N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PSDFQEVOCCOOET-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "PSDFQEVOCCOOET-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:1811074"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccccc1OCCOc1ccccc1N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Nc1ccccc1OCCOc1ccccc1N"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,2-bis(2-aminophenoxy)ethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccccc1OCCOc1ccccc1N"
          ]
        }
      ],
      "attested_by": {
        "Nc1ccccc1OCCOc1ccccc1N": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H16N2O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,2-bis(2-aminophenoxy)ethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccccc1OCCOc1ccccc1N"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C14H16N2O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,2-bis(2-aminophenoxy)ethane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,2-bis(2-aminophenoxy)ethane"
        ]
      },
      "attested_by": {
        "1,2-bis(2-aminophenoxy)ethane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        244.294
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)N)OCCOC2=CC=CC=C2N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccccc1OCCOc1ccccc1N"
          ]
        }
      ],
      "attested_by": {
        "244.294": [
          "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": [
        244.121178
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)N)OCCOC2=CC=CC=C2N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccccc1OCCOc1ccccc1N"
          ]
        }
      ],
      "attested_by": {
        "244.121178": [
          "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=J1.576.443K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:1811074;CAS:52411-34-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52411-34-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.104.674",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:1811074;CAS:52411-34-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52411-34-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.113.556",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:1811074;CAS:52411-34-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52411-34-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:1811074;CAS:52411-34-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52411-34-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00365262",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:1811074;CAS:52411-34-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52411-34-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EE2HG8UFW4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:1811074;CAS:52411-34-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52411-34-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/1811074",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:1811074;CAS:52411-34-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[52411-34-4]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1708016",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:1811074;CAS:52411-34-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52411-34-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72474734",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:1811074;CAS:52411-34-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52411-34-4]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "091f28ad-d35f-4b81-8f1e-cf925fbfdb35",
    "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": [
        "52411-34-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=52411-34-4"
        }
      ],
      "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": [
        "459-990-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=459-990-1"
      ],
      "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

1,2-bis(2-aminophenoxy)ethane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard