Home Nitriles [(4-methoxyphenyl)amino]acetonitrile

[(4-methoxyphenyl)amino]acetonitrile

CAS No.:
24889-95-0
Catalog Number:
AG00BFTE
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
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Product Description
Catalog Number:
AG00BFTE
Chemical Name:
[(4-methoxyphenyl)amino]acetonitrile
CAS Number:
24889-95-0
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD11154353
IUPAC Name:
2-(4-methoxyanilino)acetonitrile
InChI:
InChI=1S/C9H10N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5,11H,7H2,1H3
InChI Key:
OWNQIZJEBGJLSW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NCC#N
EC Number:
246-517-7
NSC Number:
617261
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties