3-Hydroxy-3-methylbutyronitrile - CAS 13635-04-6
Catalog: |
BB008351 |
Product Name: |
3-Hydroxy-3-methylbutyronitrile |
CAS: |
13635-04-6 |
Synonyms: |
3-hydroxy-3-methylbutanenitrile |
IUPAC Name: | 3-hydroxy-3-methylbutanenitrile |
Description: | 3-Hydroxy-3-methylbutyronitrile (CAS# 13635-04-6) is a useful research chemical. |
Molecular Weight: | 99.13 |
Molecular Formula: | C5H9NO |
Canonical SMILES: | CC(C)(CC#N)O |
InChI: | InChI=1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3 |
InChI Key: | CWPMDJFBWQJRGT-UHFFFAOYSA-N |
Boiling Point: | 114-116 °C30 mmHg (lit.) |
Purity: | 95 % |
Density: | 0.959 g/mL at 20 °C (lit.) |
Storage: | 2-8 °C |
MDL: | MFCD00043123 |
LogP: | 0.67098 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020200952-A1 | Process for preparing 3-hydroxy-3-methylbutyrate (hmb) and salts thereof | 20190402 |
CN-109912406-A | A kind of synthetic method of 2- hydroxy isocaproic acid calcium | 20190328 |
TW-202045521-A | Novel phosphoramidites | 20190220 |
TW-202102516-A | Phosphonoacetate gapmer oligonucleotides | 20190220 |
WO-2020169695-A1 | Phosphonoacetate gapmer oligonucleotides | 20190220 |
PMID | Publication Date | Title | Journal |
21306106 | 20110309 | Rice bran fermented with saccharomyces boulardii generates novel metabolite profiles with bioactivity | Journal of agricultural and food chemistry |
21850203 | 20110101 | Biological characteristics of foam cell formation in smooth muscle cells derived from bone marrow stem cells | International journal of biological sciences |
20668059 | 20100901 | The tomato odorless-2 mutant is defective in trichome-based production of diverse specialized metabolites and broad-spectrum resistance to insect herbivores | Plant physiology |
19390588 | 20090101 | Fatty fish intake decreases lipids related to inflammation and insulin signaling--a lipidomics approach | PloS one |
20016711 | 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 |
Complexity: | 97.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 99.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 99.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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