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84604-29-5 | 2-Pyridinebutanenitrile,3-amino-
CAS No: 84604-29-5 Catalog No: AG004QAB MDL No:
Product Description
Catalog Number:
AG004QAB
Chemical Name:
2-Pyridinebutanenitrile,3-amino-
CAS Number:
84604-29-5
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
4-(3-aminopyridin-2-yl)butanenitrile
InChI:
InChI=1S/C9H11N3/c10-6-2-1-5-9-8(11)4-3-7-12-9/h3-4,7H,1-2,5,11H2
InChI Key:
DYBCZGAECZNGOJ-UHFFFAOYSA-N
SMILES:
N#CCCCc1ncccc1N
EC Number:
283-307-4
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:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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