501121-88-6
(Z)-BENZYL 2,3,6,7-TETRAHYDRO-1H-AZEPINE-1-CARBOXYLATE
Name(Z)-BENZYL 2,3,6,7-TETRAHYDRO-1H-AZEPINE-1-CARBOXYLATE
1Identification
【Name】
(Z)-BENZYL 2,3,6,7-TETRAHYDRO-1H-AZEPINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD10688299
【English Synonyms】
【Formula】
C14 H17 N O2
【MolWeight】
231.293
【Inchi】
InChI=1S/C14H17NO2/c16-14(15-10-6-1-2-7-11-15)17-12-13-8-4-3-5-9-13/h1-5,8-9H,6-7,10-12H2
【InChIKey】
InChIKey=GNRFEHXMWFHVBQ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)COC(=O)N2CCC=CCC2
【MOL File】
(Z)-BENZYL 2,3,6,7-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(Z)-BENZYL 2,3,6,7-TETRAHYDRO-1H-AZEPINE-1-CARBOXYLATE.cml