Home Nitriles 2,4,6-Trimethylbenzonitrile

2,4,6-Trimethylbenzonitrile

CAS No.:
2571-52-0
Catalog Number:
AG007M8Q
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
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Product Description
Catalog Number:
AG007M8Q
Chemical Name:
2,4,6-Trimethylbenzonitrile
CAS Number:
2571-52-0
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD00016378
IUPAC Name:
2,4,6-trimethylbenzonitrile
InChI:
InChI=1S/C10H11N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,1-3H3
InChI Key:
SNIZBGQMWRHNDY-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(cc1C)C
UNII:
OI2I8ZYD7F
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Facile and highly selective conversion of nitriles to amides via indirect acid-catalyzed hydration using TFA or AcOH-H2SO4. The Journal of organic chemistry 20050304
Properties