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1096821-83-8 | 2-[(Cyclohexylmethyl)amino]isonicotinonitrile
CAS No: 1096821-83-8 Catalog No: AG01FA82 MDL No:
Product Description
Catalog Number:
AG01FA82
Chemical Name:
2-[(Cyclohexylmethyl)amino]isonicotinonitrile
CAS Number:
1096821-83-8
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
IUPAC Name:
2-(cyclohexylmethylamino)pyridine-4-carbonitrile
InChI:
InChI=1S/C13H17N3/c14-9-12-6-7-15-13(8-12)16-10-11-4-2-1-3-5-11/h6-8,11H,1-5,10H2,(H,15,16)
InChI Key:
KZOSSNQUTWRTNJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)NCC1CCCCC1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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