Consensus flow list

Identity

Type
ChemicalSalt
CAS
59690-88-9
EC
261-858-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (3-aminophenyl)uronium Chloride

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VTTUKXZEJFCOIL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9N3O.ClH/c8-5-2-1-3-6(4-5)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);1H
IUPAC name chemrof:IUPAC_name (3-aminophenyl)uronium Chloride
Molecular formula chemrof:molecular_formula C7H10ClN3O
Molecular mass chemrof:molecular_mass 187.63
Monoisotopic mass chemrof:monoisotopic_mass 187.05124
SMILES string chemrof:smiles_string NC(O)=[NH+]c1cccc(N)c1.[Cl-]

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=59690-88-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.056.217 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9069348 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/108805 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72440975 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0c1e2006-1be8-41c0-b59b-0418c1206321 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2e6a8787-0420-4320-9ad4-10178d59f591 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
50d58b5f-e3df-4823-9b0c-e79f59627b5d Environmental → Air → Indoor EF 3.1 kg 2
972b3929-fd41-4944-8fa6-d75ae3680dda Environmental → Air → Long-term EF 3.1 kg 0
e60a8bb4-a06f-48f3-aa5e-0965fc02b08c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
47956e2e-dbc0-4cbc-81da-b74058762c58 Environmental → Air → Unknown EF 3.1 kg 2
ddb2bf1f-0d9c-4b3f-ac5c-30bfdaeb9c4f Environmental → Ground → Agricultural EF 3.1 kg 2
c22f9157-c262-4a5e-a255-609b8abdd446 Environmental → Ground → Non-agricultural EF 3.1 kg 2
49298105-f4ad-4331-a1cf-de6e01be7487 Environmental → Ground → Unknown EF 3.1 kg 2
a9f017e5-a74a-42ce-a9dd-2ce162021e60 Environmental → Water → Long-term EF 3.1 kg 0
b24b3d1c-de32-4a20-aae1-f2e3410b6149 Environmental → Water → Ocean EF 3.1 kg 2
8083f7c0-9f90-4ab7-b51f-d85fd89c68b2 Environmental → Water → Surface water EF 3.1 kg 2
715dbb0f-175e-4e95-bef5-31f0e72c0698 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b26b0d4a184da2e8",
  "prefLabel": [
    {
      "@value": "(3-aminophenyl)uronium Chloride",
      "@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": "(3-Aminophenyl)-urea hydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=59690-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(3-Aminophenyl)-urea monohydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=59690-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(3-Aminophenyl)urea hydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, (3-aminophenyl)-, monohydrochloride",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, N-(3-aminophenyl)-, hydrochloride (1:1)",
      "@language": "en",
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        "C7H10ClN3O"
      ],
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
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      "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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      ],
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          ]
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      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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      },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
        187.63
      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          ]
        }
      ],
      "attested_by": {
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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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  ],
  "created_from": {
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    "seed_uuid": "0c1e2006-1be8-41c0-b59b-0418c1206321",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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}

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