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Home Nitriles 2-Hydroxy-2-methylbutanenitrile

2-Hydroxy-2-methylbutanenitrile

CAS No.:
4111-08-4
Catalog Number:
AG00C7C7
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$169
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Product Description
Catalog Number:
AG00C7C7
Chemical Name:
2-Hydroxy-2-methylbutanenitrile
CAS Number:
4111-08-4
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD00042978
IUPAC Name:
2-hydroxy-2-methylbutanenitrile
InChI:
InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3
InChI Key:
VMEHOTODTPXCKT-UHFFFAOYSA-N
SMILES:
CC(C#N)(CC)O
EC Number:
223-892-5
NSC Number:
44232
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Characterization and expression profile of two UDP-glucosyltransferases, UGT85K4 and UGT85K5, catalyzing the last step in cyanogenic glucoside biosynthesis in cassava. The Plant journal : for cell and molecular biology 20111001
Biosynthesis of the cyanogenic glucosides linamarin and lotaustralin in cassava: isolation, biochemical characterization, and expression pattern of CYP71E7, the oxime-metabolizing cytochrome P450 enzyme. Plant physiology 20110101
Properties