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75532-82-0 | 3-Pyridinecarbonitrile, 1,4,5,6-tetrahydro-1-(phenylmethyl)-
CAS No: 75532-82-0 Catalog No: AG005K5M MDL No:
Product Description
Catalog Number:
AG005K5M
Chemical Name:
3-Pyridinecarbonitrile, 1,4,5,6-tetrahydro-1-(phenylmethyl)-
CAS Number:
75532-82-0
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
IUPAC Name:
1-benzyl-3,4-dihydro-2H-pyridine-5-carbonitrile
InChI:
InChI=1S/C13H14N2/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-8,10H2
InChI Key:
ZMASGHFMZPQSQI-UHFFFAOYSA-N
SMILES:
N#CC1=CN(CCC1)Cc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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