Home Nitriles Benzonitrile,3-amino-2,5-dimethyl-

Benzonitrile,3-amino-2,5-dimethyl-

CAS No.:
90557-28-1
Catalog Number:
AG00IG6Z
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
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Product Description
Catalog Number:
AG00IG6Z
Chemical Name:
Benzonitrile,3-amino-2,5-dimethyl-
CAS Number:
90557-28-1
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD18826302
IUPAC Name:
3-amino-2,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H10N2/c1-6-3-8(5-10)7(2)9(11)4-6/h3-4H,11H2,1-2H3
InChI Key:
GBMHMRUGCQCDJK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1C)N
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.193g/mol
Monoisotopic Mass:
146.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties