68840-80-2
1H-AZEPINE, 2-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-, HYDROCHLORIDE
Name1H-AZEPINE, 2-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-, HYDROCHLORIDE
FormulaC13 H18 Cl N . Cl H
1Identification
【Name】
1H-AZEPINE, 2-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-, HYDROCHLORIDE
【CAS】
【MDL】
MFCD11044628
【English Synonyms】
【Formula】
C13 H18 Cl N . Cl H
【MolWeight】
260.206
【Inchi】
InChI=1S/C13H18ClN.ClH/c14-12-7-5-11(6-8-12)10-13-4-2-1-3-9-15-13;/h5-8,13,15H,1-4,9-10H2;1H
【InChIKey】
InChIKey=CUIDBXREWGFDIZ-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CC2CCCCCN2)Cl.Cl
【MOL File】
1H-AZEPINE, 2-[(4-CH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-AZEPINE, 2-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-, HYDROCHLORIDE.cml