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52583-90-1 | 2-(Cyclopropylamino);nicotinonitrile
CAS No: 52583-90-1 Catalog No: AG003F0Y MDL No:MFCD09455268
Product Description
Catalog Number:
AG003F0Y
Chemical Name:
2-(Cyclopropylamino);nicotinonitrile
CAS Number:
52583-90-1
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD09455268
IUPAC Name:
2-(cyclopropylamino)pyridine-3-carbonitrile
InChI:
InChI=1S/C9H9N3/c10-6-7-2-1-5-11-9(7)12-8-3-4-8/h1-2,5,8H,3-4H2,(H,11,12)
InChI Key:
NQVWMXLKPISDFN-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1NC1CC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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