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Home > Indoles and Oxindole > 836623-57-5
836623-57-5 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-9-methyl-1-phenyl-, (1S)-
CAS No: 836623-57-5 Catalog No: AG004Y20 MDL No:
Product Description
Catalog Number:
AG004Y20
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-9-methyl-1-phenyl-, (1S)-
CAS Number:
836623-57-5
Molecular Formula:
C18H18N2
Molecular Weight:
262.3489
IUPAC Name:
(1S)-9-methyl-1-phenyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
InChI:
InChI=1S/C18H18N2/c1-20-16-10-6-5-9-14(16)15-11-12-19-17(18(15)20)13-7-3-2-4-8-13/h2-10,17,19H,11-12H2,1H3/t17-/m0/s1
InChI Key:
JVFDAWARXMVDDW-KRWDZBQOSA-N
SMILES:
Cn1c2ccccc2c2c1[C@@H](NCC2)c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.356g/mol
Monoisotopic Mass:
262.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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