Brightway Flows 1.0
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Identity

Type
Neutral molecule
CAS
97-39-2
EC
202-577-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,3-bis(2-methylphenyl)guanidine

Alternative labels

22

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OPNUROKCUBTKLF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
IUPAC name chemrof:IUPAC_name 1,3-bis(2-methylphenyl)guanidine
Molecular formula chemrof:molecular_formula C15H17N3
Molecular mass chemrof:molecular_mass 239.322
Monoisotopic mass chemrof:monoisotopic_mass 239.142248
SMILES string chemrof:smiles_string Cc1ccccc1NC(=N)Nc1ccccc1C

Known URLs

16

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=97-39-2 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:92585 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.344 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026606 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=132023 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=473 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL282433 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LL2P01I17O enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244162 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.989E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J385.173G enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/D4Z37BTSSM1K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7333 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019336 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q426022 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ditolylguanidine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
355be4db-3129-4447-bde3-8d745b40e691 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f2554678-5b18-4e61-a23c-776b27b7c8a2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b9e15164-5df1-497d-ae5a-066acdbd161a Environmental → Air → Indoor EF 3.1 kg 4
19120d7b-1b53-4c8d-97fb-0226025a0cf2 Environmental → Air → Long-term EF 3.1 kg 0
5832df84-2e4f-4539-ab55-cb7fad651870 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
69bc4953-3d7d-4aed-a1ac-c94073e3d620 Environmental → Air → Unknown EF 3.1 kg 4
53808f6b-bf1a-4a1c-8bdc-65da049b62ef Environmental → Ground → Agricultural EF 3.1 kg 4
efd2cacc-706c-4b52-bf5d-99e5ca893fcb Environmental → Ground → Non-agricultural EF 3.1 kg 4
94b96de7-d4bb-4a91-b090-105a59c5b096 Environmental → Ground → Unknown EF 3.1 kg 4
a67651d0-a159-4447-a8ad-700a0e8177e6 Environmental → Water → Long-term EF 3.1 kg 0
bd73293e-b24e-471b-bd3c-7e1b1937e350 Environmental → Water → Ocean EF 3.1 kg 4
18dbaf8e-e793-4d8f-89f6-44871380e54c Environmental → Water → Surface water EF 3.1 kg 4
b40e71fa-89cc-477f-87da-951e5caacf62 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f5ace6caa3631540",
  "prefLabel": [
    {
      "@value": "1,3-bis(2-methylphenyl)guanidine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Bis(2-methylphenyl)guanidine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Bis(o-tolyl)guanidine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Di-2-tolylguanidine",
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      }
    },
    {
      "@value": "1,3-Di-o-tolylguanidine",
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      }
    },
    {
      "@value": "1,3-Di-ortho-tolylguanidine",
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      }
    },
    {
      "@value": "Di-o-tolylguanidine",
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    {
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    },
    {
      "@value": "Guanidine, 1,3-di-o-tolyl-",
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      }
    },
    {
      "@value": "Guanidine, N,N′-bis(2-methylphenyl)-",
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    },
    {
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    {
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      }
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      }
    },
    {
      "@value": "Nocceler DT",
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      }
    },
    {
      "@value": "Rhenogran DOTG 70",
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        ],
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      }
    },
    {
      "@value": "Sanceler DT",
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      }
    },
    {
      "@value": "Soxinol DT",
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    },
    {
      "@value": "Soxinol DT-O",
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      }
    },
    {
      "@value": "Vulcafor DOTG",
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    },
    {
      "@value": "Vulkacit DOTG",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C15H17N3"
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      "attested_by": {
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    },
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
    {
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