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Home Nitriles 2-Amino-2,3-dimethylbutyronitrile

2-Amino-2,3-dimethylbutyronitrile

CAS No.:
13893-53-3
Catalog Number:
AG0019VH
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
Product Description
Catalog Number:
AG0019VH
Chemical Name:
2-Amino-2,3-dimethylbutyronitrile
CAS Number:
13893-53-3
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
MDL Number:
MFCD00661864
IUPAC Name:
2-amino-2,3-dimethylbutanenitrile
InChI:
InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3
InChI Key:
CAOHBROWLMCZRP-UHFFFAOYSA-N
SMILES:
CC(C(C#N)(N)C)C
EC Number:
604-102-1
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Enzymatic production of 2-amino-2,3-dimethylbutyramide by cyanide-resistant nitrile hydratase. Journal of industrial microbiology & biotechnology 20120101
Biosynthesis of 2-amino-2,3-dimethylbutyramide by nitrile hydratase from a newly isolated cyanide-resistant strain of Rhodococcus qingshengii. Biotechnology letters 20110901
Ferrous and ferric ions-based high-throughput screening strategy for nitrile hydratase and amidase. Journal of microbiological methods 20110601
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
2-Amino-2,3-dimethyl-butanamide. Acta crystallographica. Section E, Structure reports online 20100601
Properties