Marvin  08150812012D          

  8  8  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  2  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:40538

> <NAME>
benzylamine

> <DEFINITION>
A primary amine compound having benzyl as the N-substituent. It has been isolated from  Moringa oleifera (horseradish tree).

> <STAR>
3

> <SYNONYM>
omega-aminotoluene; N-benzylamine; moringine; monobenzylamine; BENZYLAMINE; Benzenemethanamine; alpha-aminotoluene; (phenylmethyl)amine; (aminomethyl)benzene

> <IUPAC_NAME>
1-phenylmethanamine

> <FORMULA>
C7H9N

> <MASS>
107.15310

> <MONOISOTOPIC_MASS>
107.07350

> <CHARGE>
0

> <SMILES>
NCc1ccccc1

> <INCHI>
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2

> <INCHIKEY>
WGQKYBSKWIADBV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
741984

> <CAS_REGISTRY_NUMBER>
100-46-9

> <GMELIN_REGISTRY_NUMBER>
49783

> <REAXYS_REGISTRY_NUMBER>
741984

> <CHEMIDPLUS>
100-46-9

> <DRUGBANK_ACCESSION>
DB02464

> <KEGG_COMPOUND_ACCESSION>
C15562

> <LINCS_ACCESSION>
LSM-3700

> <METACYC_ACCESSION>
BENZYLAMINE

> <NIST_CHEMISTRY_WEBBOOK>
100-46-9

> <PDBECHEM_ACCESSION>
ABN

> <WIKIPEDIA_ACCESSION>
Benzylamine

> <PUBMED_CITATION>
11305323; 12569987; 1388821; 17435633; 24129580

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