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827322-99-6 | 3-Pyridinecarbonitrile, 6-(octahydro-1(2H)-quinolinyl)-
CAS No: 827322-99-6 Catalog No: AG00586U MDL No:
Product Description
Catalog Number:
AG00586U
Chemical Name:
3-Pyridinecarbonitrile, 6-(octahydro-1(2H)-quinolinyl)-
CAS Number:
827322-99-6
Molecular Formula:
C15H19N3
Molecular Weight:
241.3315
IUPAC Name:
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C15H19N3/c16-10-12-7-8-15(17-11-12)18-9-3-5-13-4-1-2-6-14(13)18/h7-8,11,13-14H,1-6,9H2
InChI Key:
MMKRVWBIZQYZIK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)N1CCCC2C1CCCC2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.338g/mol
Monoisotopic Mass:
241.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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