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127680-76-6 | 4-Pyridinecarbonitrile, 2-(propylamino)-
CAS No: 127680-76-6 Catalog No: AG000XAA MDL No:
Product Description
Catalog Number:
AG000XAA
Chemical Name:
4-Pyridinecarbonitrile, 2-(propylamino)-
CAS Number:
127680-76-6
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
2-(propylamino)pyridine-4-carbonitrile
InChI:
InChI=1S/C9H11N3/c1-2-4-11-9-6-8(7-10)3-5-12-9/h3,5-6H,2,4H2,1H3,(H,11,12)
InChI Key:
YHKNUWNZUPWCKX-UHFFFAOYSA-N
SMILES:
CCCNc1cc(ccn1)C#N
Properties
Complexity:
170
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:
3
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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