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Home > Pyridines > 155342-61-3
155342-61-3 | Guanidine, N-cyano-N'-(1-phenylpropyl)-N''-3-pyridinyl-
CAS No: 155342-61-3 Catalog No: AG001NUG MDL No:
Product Description
Catalog Number:
AG001NUG
Chemical Name:
Guanidine, N-cyano-N'-(1-phenylpropyl)-N''-3-pyridinyl-
CAS Number:
155342-61-3
Molecular Formula:
C16H17N5
Molecular Weight:
279.3397
IUPAC Name:
1-cyano-2-(1-phenylpropyl)-3-pyridin-3-ylguanidine
InChI:
InChI=1S/C16H17N5/c1-2-15(13-7-4-3-5-8-13)21-16(19-12-17)20-14-9-6-10-18-11-14/h3-11,15H,2H2,1H3,(H2,19,20,21)
InChI Key:
FOECJWCTYWHHFA-UHFFFAOYSA-N
SMILES:
N#CNC(=Nc1cccnc1)NC(c1ccccc1)CC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.347g/mol
Monoisotopic Mass:
279.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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