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75671-10-2 | Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro-3-methyl-5-phenyl-
CAS No: 75671-10-2 Catalog No: AG005VMK MDL No:
Product Description
Catalog Number:
AG005VMK
Chemical Name:
Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro-3-methyl-5-phenyl-
CAS Number:
75671-10-2
Molecular Formula:
C19H20N2
Molecular Weight:
276.3755
IUPAC Name:
3-methyl-5-phenyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
InChI:
InChI=1S/C19H20N2/c1-21-12-11-16-15-9-5-6-10-18(15)20-19(16)17(13-21)14-7-3-2-4-8-14/h2-10,17,20H,11-13H2,1H3
InChI Key:
MIBJALISUVUJMQ-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C(C1)c1ccccc1)[nH]c1c2cccc1
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:
19A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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