Brightway Flows 1.0
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2-Amino-4-methylphenol

fo-aa83f72c2785db18

Identity

Type
Neutral molecule
CAS
95-84-1
EC
202-457-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 2-Amino-4-methylphenol

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZMXYNJXDULEQCK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
IUPAC name chemrof:IUPAC_name 2-Amino-4-methylphenol
Molecular formula chemrof:molecular_formula C7H9NO
Molecular mass chemrof:molecular_mass 123.155
Monoisotopic mass chemrof:monoisotopic_mass 123.06841, 123.068414
SMILES string chemrof:smiles_string Cc1ccc(O)c(N)c1

Known URLs

32

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=95-84-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39713 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.235 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4024488 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB04533 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB04533 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60737 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7630 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL224282 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9ZV2574SER enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.381D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=148977 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-7366 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:2AC enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL224282 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7264 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2512 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019904 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10877799 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12101181 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16388883 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1794970 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19212757 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21579439 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22624827 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23782357 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27894775 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32314779 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32836156 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37504893 enrich_references.chebi_xrefs
reaxys reaxys:606494 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27095299 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
658178cf-ff97-4b1b-b079-ba87bd307493 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8c85936e-6afc-469c-b05c-18a6b4e8d2b4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
afe5113b-1126-4c6a-9f6e-529cdc0730ff Environmental → Air → Indoor EF 3.1 kg 2
2ef2edf3-08b2-4755-948d-8c0dd918dddc Environmental → Air → Long-term EF 3.1 kg 0
a1b39b6e-945e-45ea-bc82-7ab6cc1c9c6b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
dbbc8fbd-1845-4a2f-aecb-6a3b2ab6bb3c Environmental → Air → Unknown EF 3.1 kg 2
059f77df-94f7-4091-a86e-95f07c56f424 Environmental → Ground → Agricultural EF 3.1 kg 2
95fcacac-64a3-452b-a4c1-bbcc90f66c6d Environmental → Ground → Non-agricultural EF 3.1 kg 2
41bd285a-e202-40c4-8721-a387e89733c5 Environmental → Ground → Unknown EF 3.1 kg 2
ac2413d2-eff7-41e5-b1f6-7406bf39a947 Environmental → Water → Long-term EF 3.1 kg 0
b7d16e59-b653-4325-a93b-117b145ed923 Environmental → Water → Ocean EF 3.1 kg 2
2da3ee59-01ef-464e-a0fe-4efb651ee435 Environmental → Water → Surface water EF 3.1 kg 2
d279b4bf-1222-44c5-9ba5-51f81df22852 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-aa83f72c2785db18",
  "prefLabel": [
    {
      "@value": "2-Amino-4-methylphenol",
      "@language": "en",
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          "EF 3.1"
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-hydroxy-5-methylphenyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-amino-2-hydroxy-5-methylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "1-hydroxy-2-amino-4-methylbenzene",
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      "provenance": {
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      }
    },
    {
      "@value": "2-amino-4-cresol",
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      "provenance": {
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      }
    },
    {
      "@value": "2-amino-p-cresol",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
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    },
    {
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    },
    {
      "@value": "4-methyl-o-aminophenol",
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    },
    {
      "@value": "Phenol, 2-amino-4-methyl-",
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