Home Nitriles Acetonitrile, (2-pyridinylamino)- (9CI)

Acetonitrile, (2-pyridinylamino)- (9CI)

CAS No.:
114622-99-0
Catalog Number:
AG0097NK
Molecular Formula:
C7H7N3
Molecular Weight:
133.1506
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Product Description
Catalog Number:
AG0097NK
Chemical Name:
Acetonitrile, (2-pyridinylamino)- (9CI)
CAS Number:
114622-99-0
Molecular Formula:
C7H7N3
Molecular Weight:
133.1506
MDL Number:
MFCD18823969
IUPAC Name:
2-(pyridin-2-ylamino)acetonitrile
InChI:
InChI=1S/C7H7N3/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5H,6H2,(H,9,10)
InChI Key:
FEINEANIUFIBBQ-UHFFFAOYSA-N
SMILES:
N#CCNc1ccccn1
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.064g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
133.154g/mol
Monoisotopic Mass:
133.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties