Consensus flow list

Identity

Type
Neutral molecule
CAS
100-46-9
EC
202-854-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Benzylamine

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WGQKYBSKWIADBV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
IUPAC name chemrof:IUPAC_name Benzylamine
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 NCc1ccccc1

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=100-46-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:40538 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.595 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.238.314 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1338 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021839 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB02464 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB02464 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8046 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL522 enrich_references.pubchem_identifier_url
gmelin gmelin:49783 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A1O31ROR09 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033871 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.008H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C15562 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C15562 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-3700 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46253 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=BENZYLAMINE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:ABN enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL522 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7504 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2735 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=011068 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11305323 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12569987 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1388821 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17435633 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24129580 enrich_references.chebi_xrefs
reaxys reaxys:741984 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q424000 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Benzylamine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f25b8874-a5dc-41f0-a329-4464bff34dbc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
918b6b6e-a01e-4c03-a750-75d233f0bd22 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f4eb2baf-3821-4bc9-a72e-6d4630bd40c4 Environmental → Air → Indoor EF 3.1 kg 4
c1c61c9e-3f3b-48ab-ac5c-d2515e9f09fb Environmental → Air → Long-term EF 3.1 kg 0
aeb1da88-3919-41c0-a839-f4aa2b2c4e91 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f6eeeacd-6525-40e5-9f0e-9bea4ec3fe1c Environmental → Air → Unknown EF 3.1 kg 4
7501a95f-944c-48ee-91de-3dfbc71de1c1 Environmental → Ground → Agricultural EF 3.1 kg 4
94315bdd-c308-458a-bcf6-112f45491c9c Environmental → Ground → Non-agricultural EF 3.1 kg 4
eb7b430d-38a6-494a-82e6-1de04d0c1866 Environmental → Ground → Unknown EF 3.1 kg 4
871460ed-2f9a-43aa-9af7-2d5329c995f1 Environmental → Water → Long-term EF 3.1 kg 0
2ba869e0-1c4a-4f55-95f4-688b422c2aca Environmental → Water → Ocean EF 3.1 kg 4
3a1eb5ac-9c90-48f1-8847-2887135b338e Environmental → Water → Surface water EF 3.1 kg 4
3dc873f4-dc53-46ee-9d8e-a80cbe8501fd Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1e6bafd506843914",
  "prefLabel": [
    {
      "@value": "Benzylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(aminomethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_40538"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(phenylmethyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_40538"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-phenylmethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-aminotoluene",
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          "http://purl.obolibrary.org/obo/CHEBI_40538"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzenemethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "monobenzylamine",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "moringine",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "N-benzylamine",
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    {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Phenylmethanamine",
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    {
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    },
    {
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