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88629-27-0 | Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro-1-methyl-6-phenyl-
CAS No: 88629-27-0 Catalog No: AG004A7U MDL No:
Product Description
Catalog Number:
AG004A7U
Chemical Name:
Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro-1-methyl-6-phenyl-
CAS Number:
88629-27-0
Molecular Formula:
C19H20N2
Molecular Weight:
276.3755
IUPAC Name:
1-methyl-6-phenyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
InChI:
InChI=1S/C19H20N2/c1-14-13-20-12-11-18-19(14)16-9-5-6-10-17(16)21(18)15-7-3-2-4-8-15/h2-10,14,20H,11-13H2,1H3
InChI Key:
LJIIUCWVGQMPPK-UHFFFAOYSA-N
SMILES:
CC1CNCCc2c1c1ccccc1n2c1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.383g/mol
Monoisotopic Mass:
276.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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