Consensus flow list

Identity

Type
Neutral molecule
CAS
92952-81-3
EC
406-305-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4-[(3-hydroxypropyl)amino]-3-nitrophenol

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VTXBLQLZQLHDIL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12N2O4/c12-5-1-4-10-8-3-2-7(13)6-9(8)11(14)15/h2-3,6,10,12-13H,1,4-5H2
IUPAC name chemrof:IUPAC_name 4-[(3-hydroxypropyl)amino]-3-nitrophenol
Molecular formula chemrof:molecular_formula C9H12N2O4
Molecular mass chemrof:molecular_mass 212.205
Monoisotopic mass chemrof:monoisotopic_mass 212.079707
SMILES string chemrof:smiles_string O=[N+]([O-])c1cc(O)ccc1NCCCO

Known URLs

8

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=92952-81-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.790 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.123.948 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70239209 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X89W3M6X79 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J841.890J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5463795 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27293680 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e6b904b8-abb3-4e23-8b1a-a12bc8983cc8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
896f6b3a-3b68-4993-bdfb-9b9b481581e3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c6735931-b6bf-425f-9ed1-ae1dde83a065 Environmental → Air → Indoor EF 3.1 kg 2
fc896f43-3da3-4ec7-b866-7fdbf3264084 Environmental → Air → Long-term EF 3.1 kg 0
0d28ac82-3046-45f7-9dd4-37df3d967db2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e92b3d72-c688-4389-9695-cb403559589b Environmental → Air → Unknown EF 3.1 kg 2
4bf8e3a6-66e2-4c9a-92a2-0d8cf9a73c82 Environmental → Ground → Agricultural EF 3.1 kg 2
e47f2d70-1821-4c25-9955-cc4ce37e54ef Environmental → Ground → Non-agricultural EF 3.1 kg 2
f709bfea-5915-407b-8cb0-58ccdff6a573 Environmental → Ground → Unknown EF 3.1 kg 2
aa377241-22c5-42de-b404-ecdeb8c97bfc Environmental → Water → Long-term EF 3.1 kg 0
77629c2e-81b7-43c1-a040-3905eb152914 Environmental → Water → Ocean EF 3.1 kg 2
f1401c6a-48c6-4ca0-9fc6-e21312107152 Environmental → Water → Surface water EF 3.1 kg 2
fd38fafd-8555-4a35-8998-b9975368cd03 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ea2bfd1cee6fe42d",
  "prefLabel": [
    {
      "@value": "4-[(3-hydroxypropyl)amino]-3-nitrophenol",
      "@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-Nitro-4-hydroxypropylaminophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92952-81-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92952-81-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HC Red BN",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92952-81-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Jarocol Red BN",
      "@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": "Phenol, 4-[(3-hydroxypropyl)amino]-3-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=92952-81-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TM Red 2",
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        ],
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      }
    },
    {
      "@value": "Velsol Red BN",
      "@language": "en",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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}

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