sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 3-Hydroxy-3-methylbutanenitrile

3-Hydroxy-3-methylbutanenitrile

CAS No.:
13635-04-6
Catalog Number:
AG0011SH
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$450
- +
1g
95%
In Stock USA
United States
$563
- +
5g
95%
In Stock USA
United States
$1688
- +
10g
95%
In Stock USA
United States
$2475
- +
Product Description
Catalog Number:
AG0011SH
Chemical Name:
3-Hydroxy-3-methylbutanenitrile
CAS Number:
13635-04-6
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD00043123
IUPAC Name:
3-hydroxy-3-methylbutanenitrile
InChI:
InChI=1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3
InChI Key:
CWPMDJFBWQJRGT-UHFFFAOYSA-N
SMILES:
N#CCC(O)(C)C
Properties
Complexity:
97.9  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Rice bran fermented with saccharomyces boulardii generates novel metabolite profiles with bioactivity. Journal of agricultural and food chemistry 20110309
Biological characteristics of foam cell formation in smooth muscle cells derived from bone marrow stem cells. International journal of biological sciences 20110101
The tomato odorless-2 mutant is defective in trichome-based production of diverse specialized metabolites and broad-spectrum resistance to insect herbivores. Plant physiology 20100901
Fatty fish intake decreases lipids related to inflammation and insulin signaling--a lipidomics approach. PloS one 20090101
Red beet (Beta vulgaris L.) leaf supplementation improves antioxidant status in C57BL/6J mice fed high fat high cholesterol diet. Nutrition research and practice 20090101
Properties