Mrv0541 02241415272D          

 10 10  0  0  0  0            999 V2000
   -1.1491    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1491   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798    1.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9943    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088   -0.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  3  0  0  0  0
M  END
> <ID>
CHEBI:77398

> <NAME>
2-amino-2-phenylacetonitrile

> <DEFINITION>
A nitrile that is phenylacetonitrile in which one of the α-hydrogens is replaced by an amino group.

> <STAR>
3

> <SYNONYM>
alpha-aminophenylacetonitrile; 2-amino-2-phenylacetonitrile

> <IUPAC_NAME>
amino(phenyl)acetonitrile

> <FORMULA>
C8H8N2

> <MASS>
132.16250

> <MONOISOTOPIC_MASS>
132.06875

> <CHARGE>
0

> <SMILES>
NC(C#N)c1ccccc1

> <INCHI>
InChI=1S/C8H8N2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,10H2

> <INCHIKEY>
JTIHSSVKTWPPHI-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
636950

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