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1026876-69-6 | 3-Pyridineacetonitrile, 6-(dimethylamino)-
CAS No: 1026876-69-6 Catalog No: AG00084H MDL No:
Product Description
Catalog Number:
AG00084H
Chemical Name:
3-Pyridineacetonitrile, 6-(dimethylamino)-
CAS Number:
1026876-69-6
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
2-[6-(dimethylamino)pyridin-3-yl]acetonitrile
InChI:
InChI=1S/C9H11N3/c1-12(2)9-4-3-8(5-6-10)7-11-9/h3-4,7H,5H2,1-2H3
InChI Key:
IQFYBOHTMVGWBU-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(nc1)N(C)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:
0
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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