2-cyano-3-methyl-2-propan-2-yl-butanoic acid

Modify Date: 2025-08-29 13:19:40

2-cyano-3-methyl-2-propan-2-yl-butanoic acid Structure
2-cyano-3-methyl-2-propan-2-yl-butanoic acid structure
Common Name 2-cyano-3-methyl-2-propan-2-yl-butanoic acid
CAS Number 866-29-5 Molecular Weight 169.22100
Density 1.019g/cm3 Boiling Point 287.3ºC at 760 mmHg
Molecular Formula C9H15NO2 Melting Point N/A
MSDS N/A Flash Point 127.6ºC

 Names

Name 2-cyano-3-methyl-2-propan-2-ylbutanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.019g/cm3
Boiling Point 287.3ºC at 760 mmHg
Molecular Formula C9H15NO2
Molecular Weight 169.22100
Flash Point 127.6ºC
Exact Mass 169.11000
PSA 61.09000
LogP 1.89298
Index of Refraction 1.456
InChIKey UGKAGYIWOQXPKP-UHFFFAOYSA-N
SMILES CC(C)C(C#N)(C(=O)O)C(C)C

 Synthetic Route

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2-cyano-3-methyl-2-propan-2-yl-butanoic acid Structure

2-cyano-3-methy...

CAS#:866-29-5

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Literature: Pifferi,G. et al. Farmaco, Edizione Scientifica, 1962 , vol. 17, p. 882 - 893

~%

2-cyano-3-methyl-2-propan-2-yl-butanoic acid Structure

2-cyano-3-methy...

CAS#:866-29-5

Learn More
Literature: Testa,E.; Fontanella,L. Justus Liebigs Annalen der Chemie, 1962 , vol. 660, p. 118 - 134

 Bioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

2-cyano-2-isopropyl-3-methyl-butyric acid
Diisopropyl-cyanessigsaeure
2-Cyan-2-isopropyl-3-methyl-buttersaeure
2-Cyano-2-isopropyl-3-methylbutanoic acid
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