2-(2,4-diaminophenoxy)ethanol Dihydrochloride

2,4-Diamino-1-(2-hydroxyethoxy)benzene dihydrochloride
2,4-Diaminophenoxyethanol dihydrochloride
4-2-Hydroxyethoxy-1,3-Benzenediamine dihydrochloride
Ethanol, 2-(2,4-diaminophenoxy)-, dihydrochloride
Ethanol, 2-(2,4-diaminophenoxy)-, hydrochloride (1:2)

Property	Value
InChI2D key string chemrof:inchi2d_key_string	VXYWXJXCQSDNHX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H12N2O2.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H
IUPAC name chemrof:IUPAC_name	2-(2,4-diaminophenoxy)ethanol Dihydrochloride
Molecular formula chemrof:molecular_formula	C8H14Cl2N2O2
Molecular mass chemrof:molecular_mass	241.118
Monoisotopic mass chemrof:monoisotopic_mass	240.043233
SMILES string chemrof:smiles_string	Cl.Cl.Nc1ccc(OCCO)c(N)c1

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=66422-95-5	enrich_references.consensus_cas_link
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3070462	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z5Y843J6KQ	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/47932	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27295039	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
dfe3fbbe-4f85-4a95-b22f-7cbd9ec92344	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
1b716cdf-ee9c-4604-a716-2a62e0b1ec97	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
8aad4dec-37ab-42e2-9f32-a7b110a2b46e	Environmental → Air → Indoor	EF 3.1	kg	4
858e7452-0e57-4dce-b1e6-2ff39d18adc5	Environmental → Air → Long-term	EF 3.1	kg	0
5bb0b083-e271-484d-a444-285c4b6cf94c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
7c8f1200-f6b5-4bd2-9614-79a8e6ca3db2	Environmental → Air → Unknown	EF 3.1	kg	4
28e7f703-eb1d-4d0c-acd2-f92a7ab22222	Environmental → Ground → Agricultural	EF 3.1	kg	4
337f155c-3ad7-42f0-b667-a96aaf525a08	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
fa1ce3b1-ebb7-4a36-8f6a-7c1042818c8d	Environmental → Ground → Unknown	EF 3.1	kg	4
139bcd25-21c9-44c7-a823-d170527d34aa	Environmental → Water → Long-term	EF 3.1	kg	0
52be52d8-c4d1-4532-bbe6-39cb4c77f79e	Environmental → Water → Ocean	EF 3.1	kg	4
c4ad091b-e667-4cfc-9c56-85a4b89b22c9	Environmental → Water → Surface water	EF 3.1	kg	4
fe6bc245-4d94-4630-86d2-383b83919619	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-e97ec83da0aca067",
  "prefLabel": [
    {
      "@value": "2-(2,4-diaminophenoxy)ethanol Dihydrochloride",
      "@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": "2,4-Diamino-1-(2-hydroxyethoxy)benzene dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66422-95-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Diaminophenoxyethanol dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66422-95-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-2-Hydroxyethoxy-1,3-Benzenediamine dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66422-95-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-(2,4-diaminophenoxy)-, dihydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66422-95-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-(2,4-diaminophenoxy)-, hydrochloride (1:2)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66422-95-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H14Cl2N2O2"
      ],
      "attested_by": {
        "C8H14Cl2N2O2": [
          "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:47932"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(OCCO)c(N)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VXYWXJXCQSDNHX-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "VXYWXJXCQSDNHX-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:47932"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(OCCO)c(N)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cl.Cl.Nc1ccc(OCCO)c(N)c1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-(2,4-diaminophenoxy)ethanol Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(OCCO)c(N)c1"
          ]
        }
      ],
      "attested_by": {
        "Cl.Cl.Nc1ccc(OCCO)c(N)c1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C8H12N2O2.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-(2,4-diaminophenoxy)ethanol Dihydrochloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(OCCO)c(N)c1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C8H12N2O2.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-(2,4-diaminophenoxy)ethanol Dihydrochloride"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-(2,4-diaminophenoxy)ethanol Dihydrochloride"
        ]
      },
      "attested_by": {
        "2-(2,4-diaminophenoxy)ethanol Dihydrochloride": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        241.118
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C=C1N)N)OCCO.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(OCCO)c(N)c1"
          ]
        }
      ],
      "attested_by": {
        "241.118": [
          "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": [
        240.043233
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C=C1N)N)OCCO.Cl.Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cl.Cl.Nc1ccc(OCCO)c(N)c1"
          ]
        }
      ],
      "attested_by": {
        "240.043233": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "66422-95-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID3070462",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:47932;CAS:66422-95-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66422-95-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z5Y843J6KQ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:47932;CAS:66422-95-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66422-95-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/47932",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:47932;CAS:66422-95-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[66422-95-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27295039",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:47932;CAS:66422-95-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[66422-95-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "139bcd25-21c9-44c7-a823-d170527d34aa",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "66422-95-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
        }
      ],
      "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": [
        "266-357-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=266-357-1"
      ],
      "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/MolecularComplex"
  ]
}

2-(2,4-diaminophenoxy)ethanol Dihydrochloride

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard