Home Nitriles Benzonitrile, 2-aMino-5-ethyl-

Benzonitrile, 2-aMino-5-ethyl-

CAS No.:
79689-41-1
Catalog Number:
AG00G8LZ
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
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Product Description
Catalog Number:
AG00G8LZ
Chemical Name:
Benzonitrile, 2-aMino-5-ethyl-
CAS Number:
79689-41-1
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
IUPAC Name:
2-amino-5-ethylbenzonitrile
InChI:
InChI=1S/C9H10N2/c1-2-7-3-4-9(11)8(5-7)6-10/h3-5H,2,11H2,1H3
InChI Key:
XMRIHDJOLPUODW-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)C#N)N
Properties
Complexity:
168  
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:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties