84940-28-3
1-PHENYL-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXAZOCINE-5-CARBONITRILE
Name1-PHENYL-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXAZOCINE-5-CARBONITRILE
1Identification
【Name】
1-PHENYL-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXAZOCINE-5-CARBONITRILE
【CAS】
【MDL】
MFCD09833519
【English Synonyms】
【Formula】
C17 H16 N2 O
【MolWeight】
264.326
【Inchi】
InChI=1S/C17H16N2O/c18-13-19-10-11-20-17(14-6-2-1-3-7-14)16-9-5-4-8-15(16)12-19/h1-9,17H,10-12H2
【InChIKey】
InChIKey=QVNMALVESUWGGZ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2c3ccccc3CN(CCO2)C#N
【MOL File】
1-PHENYL-3,4,5,6-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PHENYL-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXAZOCINE-5-CARBONITRILE.cml