(3S)-3-Amino-5-methylhexanoic acid

Basic Information

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CAS Number

22818-43-5

Molecular Formula

C7H15NO2

Molecular Weight

145.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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CC(C)CC(CC(=O)O)N

InChI

InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1

InChIKey

MLYMSIKVLAPCAK-LURJTMIESA-N

LogP

0.8345000000000002

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

112

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Hexanoic acid, 3-amino-5-methyl-, L-
22818-43-5
H-Leu-(C#CH2)OH
A4855
l-beta-homoleucine
(S)-3-amino-5-methylhexanoic acid
Q27458201
(S)-3-Amino-5-methyl-hexanoic acid
CHEBI:177031
AMY14352
AKOS006282080
AC-6714
h-leu-(c*ch2)oh
beta-homoleucine
(S)-beta-3-homoleucine
DTXSID70375813
EN300-816450
J-800385
CS-0036492
Hexanoic acid, 3-amino-5-methyl-, (3S)-
(S)-3-Amino-5-methylhexanoicacid
3-Amino-5-methylhexanoic acid, (S)-
MFCD01076258
(3s)-3-amino-5-methyl-hexanoic acid
(3S)-3-amino-5-methylhexanoic acid
W6F7K5U7XB
(S)-3-amino-5-methylhexanoic acid;(S)-3-AMINO-5-METHYL-HEXANOIC ACID
DS-13377
SCHEMBL288273
(S)-3-Amino-5-methylhexanoic acid
(S)-3-AMINO-5-METHYL-HEXANOIC ACID

MDL Number

MFCD01076258

Customs Code

2922499990

FAQ

What are the physical and chemical properties of (3S)-3-Amino-5-methylhexanoic acid (CAS: 22818-43-5)?

(3S)-3-Amino-5-methylhexanoic acid is a white crystalline solid with a molecular weight of approximately 156.24 g/mol. It is slightly soluble in water and ethanol. This compound shows moderate reactivity, particularly in its amine and carboxylic acid functionalities, making it suitable for various chemical transformations. It is mainly used in organic synthesis and pharmaceutical applications.

How is (3S)-3-Amino-5-methylhexanoic acid (CAS: 22818-43-5) typically synthesized?

(3S)-3-Amino-5-methylhexanoic acid can be synthesized via the reduction of (3S)-3-bromomethyl-5-methylhexanoic acid. Common methods include catalytic hydrogenation using palladium on carbon as the catalyst. The reaction typically proceeds with good yield and selectivity, making it a reliable method for industrial production.

What industries use (3S)-3-Amino-5-methylhexanoic acid (CAS: 22818-43-5)?

(3S)-3-Amino-5-methylhexanoic acid is widely used in the pharmaceutical industry for the synthesis of various drugs as an intermediate. It is also utilized in the food industry as a flavor enhancer and in polymer manufacturing as a monomer. Additionally, it finds applications in the production of sensors and semiconductors due to its specific chemical properties.

What precautions should be taken when handling (3S)-3-Amino-5-methylhexanoic acid (CAS: 22818-43-5)?

When handling (3S)-3-Amino-5-methylhexanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of spill, it should be carefully cleaned up using appropriate methods, and safety data sheets (SDS) should be consulted for detailed handling instructions. Fume hoods should be used during the handling of this compound to minimize exposure and inhalation risks.