28740-82-1
PYRROLO(1,2,3-EF)(1,5)BENZODIAZEPINE, 1,2,4,5,6,7-HEXAHYDRO-, DIHYDROC HLORIDE
NamePYRROLO(1,2,3-EF)(1,5)BENZODIAZEPINE, 1,2,4,5,6,7-HEXAHYDRO-, DIHYDROC HLORIDE
FormulaC11 H14 N2 . 2 Cl H
1Identification
【Name】
PYRROLO(1,2,3-EF)(1,5)BENZODIAZEPINE, 1,2,4,5,6,7-HEXAHYDRO-, DIHYDROC HLORIDE
【CAS】
【MDL】
MFCD01687090
【English Synonyms】
PYRROLO(1,2,3-EF)(1,5)BENZODIAZEPINE, 1,2,4,5,6,7-HEXAHYDRO-, DIHYDROC HLORIDE
【Formula】
C11 H14 N2 . 2 Cl H
【MolWeight】
247.167
【Inchi】
InChI=1S/C11H14N2.2ClH/c1-3-9-5-8-13-7-2-6-12-10(4-1)11(9)13;;/h1,3-4,12H,2,5-8H2;2*1H
【InChIKey】
InChIKey=JSNSNNLDACBGSH-UHFFFAOYSA-N
【SMILES】
c1cc2c3c(c1)NCCCN3CC2.Cl.Cl
【MOL File】
PYRROLO(1,2,3-EF)(1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PYRROLO(1,2,3-EF)(1,5)BENZODIAZEPINE, 1,2,4,5,6,7-HEXAHYDRO-, DIHYDROC HLORIDE.cml