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Home > Indoles and Oxindole > 88629-28-1
88629-28-1 | Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro-1,3-dimethyl-6-phenyl-
CAS No: 88629-28-1 Catalog No: AG0049V7 MDL No:
Product Description
Catalog Number:
AG0049V7
Chemical Name:
Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro-1,3-dimethyl-6-phenyl-
CAS Number:
88629-28-1
Molecular Formula:
C20H22N2
Molecular Weight:
290.4021
IUPAC Name:
1,3-dimethyl-6-phenyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
InChI:
InChI=1S/C20H22N2/c1-15-14-21(2)13-12-19-20(15)17-10-6-7-11-18(17)22(19)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3
InChI Key:
KCXPAAUREDXZGP-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C(C1)C)c1c(n2c2ccccc2)cccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.41g/mol
Monoisotopic Mass:
290.178g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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