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7546-77-2 | 3-Benzyl-1,2,3,4,5,6-hexahydro-azepino(4,5-b)indole
CAS No: 7546-77-2 Catalog No: AG005BGE MDL No:
Product Description
Catalog Number:
AG005BGE
Chemical Name:
3-Benzyl-1,2,3,4,5,6-hexahydro-azepino(4,5-b)indole
CAS Number:
7546-77-2
Molecular Formula:
C19H20N2
Molecular Weight:
276.3755
IUPAC Name:
3-benzyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
InChI:
InChI=1S/C19H20N2/c1-2-6-15(7-3-1)14-21-12-10-17-16-8-4-5-9-18(16)20-19(17)11-13-21/h1-9,20H,10-14H2
InChI Key:
WOFLJLUPWUTFQQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCc2c(CC1)c1c([nH]2)cccc1
Properties
Complexity:
337
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:
2
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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