5558-31-6
4-METHYL-2-PHENYLVALERONITRILE
Name4-METHYL-2-PHENYLVALERONITRILE
1Identification
【Name】
4-METHYL-2-PHENYLVALERONITRILE
【CAS】
【MDL】
MFCD00085699
【English Synonyms】
【Formula】
C12 H15 N
【MolWeight】
173.258
【Inchi】
InChI=1S/C12H15N/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-7,10,12H,8H2,1-2H3
【InChIKey】
InChIKey=IOECVHZGSYWTKT-UHFFFAOYSA-N
【SMILES】
CC(C)CC(C#N)c1ccccc1
【MOL File】
4-METHYL-2-PHENYLVAL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-2-PHENYLVALERONITRILE.cml