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1226776-95-9 | 2-Pyridineacetonitrile, 5-amino-α,α-dimethyl-
CAS No: 1226776-95-9 Catalog No: AG0017MK MDL No:MFCD16495866
Product Description
Catalog Number:
AG0017MK
Chemical Name:
2-Pyridineacetonitrile, 5-amino-α,α-dimethyl-
CAS Number:
1226776-95-9
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD16495866
IUPAC Name:
2-(5-aminopyridin-2-yl)-2-methylpropanenitrile
InChI:
InChI=1S/C9H11N3/c1-9(2,6-10)8-4-3-7(11)5-12-8/h3-5H,11H2,1-2H3
InChI Key:
ONYGTHTZAUUIJI-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cn1)N)(C)C
Properties
Complexity:
201
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:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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