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827322-93-0 | 3-Pyridinecarbonitrile, 6-(octahydro-2(1H)-isoquinolinyl)-
CAS No: 827322-93-0 Catalog No: AG008J5P MDL No:
Product Description
Catalog Number:
AG008J5P
Chemical Name:
3-Pyridinecarbonitrile, 6-(octahydro-2(1H)-isoquinolinyl)-
CAS Number:
827322-93-0
Molecular Formula:
C15H19N3
Molecular Weight:
241.3315
IUPAC Name:
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C15H19N3/c16-9-12-5-6-15(17-10-12)18-8-7-13-3-1-2-4-14(13)11-18/h5-6,10,13-14H,1-4,7-8,11H2
InChI Key:
SCQNZYCROKWAKH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)N1CCC2C(C1)CCCC2
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:
3.4
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