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19971-17-6 | Azepino[4,5-b]indole, 1,2,3,4,5,5a,6,10b-octahydro-3,9-dimethyl-, hydrochloride (1:2)
CAS No: 19971-17-6 Catalog No: AG002CAA MDL No:
Product Description
Catalog Number:
AG002CAA
Chemical Name:
Azepino[4,5-b]indole, 1,2,3,4,5,5a,6,10b-octahydro-3,9-dimethyl-, hydrochloride (1:2)
CAS Number:
19971-17-6
Molecular Formula:
C14H22Cl2N2
Molecular Weight:
289.2439
IUPAC Name:
3,9-dimethyl-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole;dihydrochloride
InChI:
InChI=1S/C14H20N2.2ClH/c1-10-3-4-13-12(9-10)11-5-7-16(2)8-6-14(11)15-13;;/h3-4,9,11,14-15H,5-8H2,1-2H3;2*1H
InChI Key:
MENKQFULDMHKOR-UHFFFAOYSA-N
SMILES:
CN1CCC2C(CC1)Nc1c2cc(C)cc1.Cl.Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.244g/mol
Monoisotopic Mass:
288.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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