37015-01-3
6,7,8,9-TETRAHYDRO-5H-1,3-DIOXOLO[4,5-H][3]BENZAZEPINE, HYDROCHLORIDE
Name6,7,8,9-TETRAHYDRO-5H-1,3-DIOXOLO[4,5-H][3]BENZAZEPINE, HYDROCHLORIDE
FormulaC11 H13 N O2 . Cl H
1Identification
【Name】
6,7,8,9-TETRAHYDRO-5H-1,3-DIOXOLO[4,5-H][3]BENZAZEPINE, HYDROCHLORIDE
【CAS】
【MDL】
MFCD16987628
【English Synonyms】
【Formula】
C11 H13 N O2 . Cl H
【MolWeight】
227.69
【Inchi】
InChI=1S/C11H13NO2.ClH/c1-3-12-4-2-9-6-11-10(5-8(1)9)13-7-14-11;/h5-6,12H,1-4,7H2;1H
【InChIKey】
InChIKey=BUDWOYMADQZCFL-UHFFFAOYSA-N
【SMILES】
c1c2c(cc3c1OCO3)CCNCC2.Cl
【MOL File】
6,7,8,9-TETRAHYDRO-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6,7,8,9-TETRAHYDRO-5H-1,3-DIOXOLO[4,5-H][3]BENZAZEPINE, HYDROCHLORIDE.cml