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127680-78-8 | 4-Pyridinecarbonitrile, 2-[(1-methylethyl)amino]-
CAS No: 127680-78-8 Catalog No: AG000XA9 MDL No:
Product Description
Catalog Number:
AG000XA9
Chemical Name:
4-Pyridinecarbonitrile, 2-[(1-methylethyl)amino]-
CAS Number:
127680-78-8
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
2-(propan-2-ylamino)pyridine-4-carbonitrile
InChI:
InChI=1S/C9H11N3/c1-7(2)12-9-5-8(6-10)3-4-11-9/h3-5,7H,1-2H3,(H,11,12)
InChI Key:
LGPFELCIVGOVIN-UHFFFAOYSA-N
SMILES:
CC(Nc1nccc(c1)C#N)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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