N-Acetyl-L-valine

Basic Information

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CAS Number

96-81-1

Molecular Formula

C7H13NO3

Molecular Weight

159.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

163.0 to 167.0 deg-C

Boiling Point

362.2 °C at 760 mmHg

Density

1.0940

Flash Point

172.8℃

Specific Rotation

+11.0 to +14.0°(C=1, AcOH)

SMILES

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CC(C)C(C(=O)O)NC(=O)C

InChI

InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1

InChIKey

IHYJTAOFMMMOPX-LURJTMIESA-N

LogP

0.2316999999999998

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

165

Safety Information

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Hazard Statement

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

Valine, N-acetyl-, L-
N-alpha-Actetyl-L-valine (Ac-L-Val-OH)
Acetyl-L-Valine
W-100131
EINECS 202-537-8
AKOS001078320
UNII-U83P7H9HV3
HMS1719J05
S-(-)-N-ACETYLVALINE
EN300-297451
TS-03593
N-Acetyl Valine
Ac-L-Val-OH
L-Valine, N-acetyl-
NSC 122016
96-81-1
EINECS 221-321-4
AB01318387-02
N-Acyl-Valine
Acetylvaline
Q27290813
J-300293
AM82366
Z57032483
MFCD00066066
n-acetyl-Valine
Ac-Val-OH
L-N-ACETYLVALINE
N-Acetylvaline
N-Acetyl-L-valine
SCHEMBL132349

MDL Number

MFCD00066066

Customs Code

2924199090

FAQ

What are the physical and chemical properties of N-Acetyl-L-valine (CAS: 96-81-1)?

N-Acetyl-L-valine (CAS: 96-81-1) is a white crystalline solid with a molecular weight of 186.22 g/mol. It has a melting point of 220-222°C and is sparingly soluble in water. This compound is less reactive compared to L-valine, making it a suitable intermediate in various chemical processes. It exhibits good stability under normal conditions, but its reactivity can increase in the presence of strong acids or bases.

How is N-Acetyl-L-valine (CAS: 96-81-1) typically synthesized?

N-Acetyl-L-valine (CAS: 96-81-1) is synthesized through the acetylation of L-valine using acetic anhydride and a catalyst such as pyridine. The reaction is conducted in an organic solvent like chloroform at room temperature. The yield is typically high, and the method is known for its good selectivity for the desired product.

What industries use N-Acetyl-L-valine (CAS: 96-81-1)?

N-Acetyl-L-valine (CAS: 96-81-1) is used in the pharmaceutical industry for the synthesis of certain drugs and as a protective group in peptide chemistry. It is also utilized in the polymer industry as an additive, in the sensor industry for specific chemical detection, and in the semiconductor industry as a dopant.

What precautions should be taken when handling N-Acetyl-L-valine (CAS: 96-81-1)?

When handling N-Acetyl-L-valine (CAS: 96-81-1), it is important to wear appropriate personal protective equipment (PPE), such as gloves and goggles. The compound should be stored in a cool, dry place away from strong acids and bases. In case of a spill, it should be cleaned up using appropriate methods, and all waste should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information and guidelines.