3-(Aminomethyl)-5-methylhexanoic acid

Basic Information

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CAS Number

130912-52-6

Molecular Formula

C8H17NO2

Molecular Weight

159.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

SMILES

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CC(C)CC(CC(=O)O)CN

InChI

InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)

InChIKey

AYXYPKUFHZROOJ-UHFFFAOYSA-N

LogP

1.0821

Topological Polar Surface Area

63.31999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

123

Synonyms & References

English

128013-69-4
AMY33454
NCGC00095186-02
PHARMA-0589
.gamma.-Aminobutyric acid, 3-isobutyl-
130912-52-6
FT-0643142
DS-10736
CS-0113684
FT-0674010
3-(Aminomethyl)-5-methylhexanoicacid
SCHEMBL15497
3-(aminomethyl)-5-methylhexanoic acid
CHEMBL88034
BCP17115
AC-1337
rac-Pregabalin
US9663479, Pregabalin
Hexanoic acid, 3-(aminomethyl)-5-methyl-
R-Pregabalin
BCP33617
rac-Pregabalin; Hexanoic acid, 3-(aminomethyl)-5-methyl-; 3-(Aminomethyl)-5-methylhexanoic acid; (+/-)-Pregabalin
AB87416
Hexanoic acid, 3-(aminomethyl)-5-methyl-, (S)-
FT-0648922
AKOS005638873
Pregabalin EP Impurity B;(3R)-3-(aminomethyl)-5-methylhexanoic acid
DTXSID20861392
NCGC00095186-01
3-(aminomethyl)-5-methyl-hexanoic acid
3-Aminomethyl-5-methyl-hexanoic acid

FAQ

What regulatory guidelines apply to 3-(Aminomethyl)-5-methylhexanoic acid (CAS: 130912-52-6)?

3-(Aminomethyl)-5-methylhexanoic acid (CAS: 130912-52-6) falls under regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and European Chemicals Agency (ECHA) REACH regulations. For FDA and EPA requirements, it is categorized as a food additive and pesticide ingredient, respectively. It is essential to adhere to specific handling, storage, and disposal guidelines to ensure safety and compliance.

Are there alternatives to 3-(Aminomethyl)-5-methylhexanoic acid (CAS: 130912-52-6) in synthesis?

Alternatives to 3-(Aminomethyl)-5-methylhexanoic acid (CAS: 130912-52-6) include similar compounds like 3-(Aminomethyl)hexanoic acid or 5-methylhexanoic acid. Common alternatives in synthesis include using other aminomethyl-containing carboxylic acids, which can serve similar functional groups in medicinal and industrial applications. These alternatives can be chosen based on reactivity, availability, and cost.

What is the market or research trend for 3-(Aminomethyl)-5-methylhexanoic acid (CAS: 130912-52-6)?

The market and research trends for 3-(Aminomethyl)-5-methylhexanoic acid (CAS: 130912-52-6) are growing due to its applications in pharmaceuticals, agrochemicals, and biotechnology. Recent research focuses on its potential as a building block for peptides and proteins, as well as its use as a pesticide ingredient. Market trends indicate increasing demand from the pharmaceutical industry and a steady interest from agricultural sectors.

How should waste containing 3-(Aminomethyl)-5-methylhexanoic acid (CAS: 130912-52-6) be handled?

Waste containing 3-(Aminomethyl)-5-methylhexanoic acid (CAS: 130912-52-6) should be managed according to local and national regulations. Opt for collection and incineration methods, or use professional waste disposal services. Ensure that all handling and disposal procedures comply with GHS and REACH guidelines. Implement proper environmental protection precautions, such as containment and neutralization of any acidic or basic residues, to prevent environmental contamination.