120511-88-8
2-[3-(1-CYANO-1-METHYLETHYL)-5-(HYDROXYMETHYL)PHENYL]-2-METHYLPROPANENITRILE
Name2-[3-(1-CYANO-1-METHYLETHYL)-5-(HYDROXYMETHYL)PHENYL]-2-METHYLPROPANENITRILE
1Identification
【Name】
2-[3-(1-CYANO-1-METHYLETHYL)-5-(HYDROXYMETHYL)PHENYL]-2-METHYLPROPANENITRILE
【CAS】
【MDL】
MFCD16619241
【English Synonyms】
【Formula】
C15 H18 N2 O
【MolWeight】
242.32
【Inchi】
InChI=1S/C15H18N2O/c1-14(2,9-16)12-5-11(8-18)6-13(7-12)15(3,4)10-17/h5-7,18H,8H2,1-4H3
【InChIKey】
InChIKey=PLEAQICJSGOGID-UHFFFAOYSA-N
【SMILES】
CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CO
【MOL File】
2-[3-(1-CYANO-1-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[3-(1-CYANO-1-METHYLETHYL)-5-(HYDROXYMETHYL)PHENYL]-2-METHYLPROPANENITRILE.cml