Brightway Flows 1.0
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O-toluidine

fo-6fa967bde76d324a

Identity

Type
Neutral molecule
CAS
95-53-4
EC
202-429-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for O-toluidine

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RNVCVTLRINQCPJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
IUPAC name chemrof:IUPAC_name 1-Amino-2-methylbenzene
Molecular formula chemrof:molecular_formula C7H9N
Molecular mass chemrof:molecular_mass 107.156
Monoisotopic mass chemrof:monoisotopic_mass 107.073499, 107.0735
SMILES string chemrof:smiles_string Cc1ccccc1N

Known URLs

29

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=95-53-4 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=97917-08-3 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/XU2D6518.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66892 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.209 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0341 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1026164 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15348 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1381 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B635MZ0ZLU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041965 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.953E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14403 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14403 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49665 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44429 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7242 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1708 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018973 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21117897 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21320752 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21701861 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22004833 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22574454 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22708702 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22799188 enrich_references.chebi_xrefs
reaxys reaxys:741981 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q311695 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/O-Toluidine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
35488c8e-7d24-4b51-af76-e7779b015cb5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1550c758-ba85-4212-9f1a-a0443f31189f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
355157d4-88b4-4ff4-9dba-c805307b92da Environmental → Air → Indoor EF 3.1 kg 2
860ced51-8eb3-4cd7-907f-e5619afacc7e Environmental → Air → Long-term EF 3.1 kg 0
c803fe31-82b4-4680-8d5c-391903435681 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
16ac0b52-2daa-4f81-9ea8-f2afa78b8697 Environmental → Air → Unknown EF 3.1 kg 2
e7a19481-78e3-4742-ba2f-5fde0856ac3a Environmental → Ground → Agricultural EF 3.1 kg 2
62e1a5a1-df5a-42cd-99af-41cc436aae7d Environmental → Ground → Non-agricultural EF 3.1 kg 2
0346ae61-e8dc-4f10-8934-6ced8e1df57b Environmental → Ground → Unknown EF 3.1 kg 2
f1837309-805f-4cfb-9393-b3e7a4412d6c Environmental → Water → Long-term EF 3.1 kg 0
93bbbaf1-7271-4532-ac95-95606ff90862 Environmental → Water → Ocean EF 3.1 kg 2
a3ad3d22-607c-4b1b-80ae-86aab706df81 Environmental → Water → Surface water EF 3.1 kg 2
6c0b7fd5-577a-4906-84ae-1c5cb0437362 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6fa967bde76d324a",
  "prefLabel": [
    {
      "@value": "O-toluidine",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Methyl-2-aminobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Amino-1-methylbenzene",
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      "provenance": {
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    },
    {
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      }
    },
    {
      "@value": "2-Methyl-1-aminobenzene",
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    },
    {
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    {
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    },
    {
      "@value": "2-Methylbenzenamine",
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    },
    {
      "@value": "2-Methylphenylamine",
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    },
    {
      "@value": "2-Toluidine",
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    },
    {
      "@value": "6-Methylaniline",
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      }
    },
    {
      "@value": "Benzenamine, 2-methyl-",
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