N-Acetyl-beta-alanyl-L-histidine

Basic Information

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CAS Number

56353-15-2

Molecular Formula

C11H16N4O4

Molecular Weight

268.27 g/mol

EINECS

260-123-2

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

158-163°C

Boiling Point

775.854°C at 760 mmHg

Density

1.343±0.06 g/cm3(Predicted)

Specific Rotation

+25° - +27° (c=1, methanol)

SMILES

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CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

InChI

InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m0/s1

InChIKey

BKAYIFDRRZZKNF-VIFPVBQESA-N

LogP

-0.9521999999999988

pKa

3.08±0.10(Predicted)

Topological Polar Surface Area

124.17999999999999 Å²

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

348

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

Storage Conditions

Sealed in dry,2-8°C

Synonyms & References

English

(S)-2-(3-Acetamidopropanamido)-3-(1H-imidazol-4-yl)propanoic acid
N-Acetyl-L-carnosine
N-Acetyl carnosine
N-Aceyl-L-Carnosine
Acetyl Carnosine
(2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Histidine,N-(N-acetyl-b-alanyl)-,L- (6CI)
L-Histidine, N-(N-acetyl-b-alanyl)-
Can-C
N-(N-Acetyl-b-alanyl)histidine
N-Acetylcarnosine
Acetylcarnosine
0TPN86OQIF
N-acetyl-beta-alanyl-L-histidine
N-a-acetyl-N-b-alanyl-L-histidine
N-Acetyl camosine
(S)-2-(3-Acetamidopropanamido)-3-(1H-imidazol-5-yl)propanoic acid
(2S)-2-{[3-(acetylamino)propanoyl]amino}-3-(1H-imidazol-5-yl)propanoic acid
Canc
N-(N-Acetyl-beta-alanyl)-L-histidine
CL 1700
SCHEMB
(3-acetamidopropanoyl)-L-histidine
(S)-2-(3-ACETYLAMINO-PROPIONYLAMINO)-3-(3H-IMIDAZOL-4-YL)-PROPIONIC ACID
n-acetyl carnosine
N-ACETYL-L-CARNOSINE
N-A-ACETYL-N-B-ALANYL-L-HISTIDINE
NAC, N-a-Acetyl-N-b-alanyl-L-histidine
N-(N-acetyl-beta-alanyl)-L-histidine

MDL Number

MFCD04039376

EC Number

260-123-2

Customs Code

2942000000

FAQ

What is N-Acetyl-beta-alanyl-L-histidine (CAS: 56353-15-2)?

N-Acetyl-beta-alanyl-L-histidine (CAS: 56353-15-2) is a histidine derivative used primarily in pharmaceutical and chemical applications. Its chemical formula is C12H17N5O4, and it exhibits solubility in water, making it suitable for use in drug formulations. This compound is known for its role as an intermediate in the synthesis of certain medications and its stability under controlled conditions.

What are the main uses of N-Acetyl-beta-alanyl-L-histidine (CAS: 56353-15-2)?

N-Acetyl-beta-alanyl-L-histidine (CAS: 56353-15-2) is widely utilized in pharmaceuticals for developing antihistamine drugs and as a component in flavor enhancers. It also serves in research for studying amino acid derivatives and in industrial processes for producing specialized chemical compounds. Additionally, it may be used in nutritional supplements and as a buffer in biochemical applications.

Is N-Acetyl-beta-alanyl-L-histidine (CAS: 56353-15-2) safe?

N-Acetyl-beta-alanyl-L-histidine (CAS: 56353-15-2) is generally considered safe when handled according to standard chemical safety protocols. However, it requires precautions such as wearing gloves and ensuring proper ventilation to avoid skin or respiratory exposure. Safety standards classify it as low-toxicity, but its use should comply with OSHA guidelines for chemical handling.

How should N-Acetyl-beta-alanyl-L-histidine (CAS: 56353-15-2) be stored?

N-Acetyl-beta-alanyl-L-histidine (CAS: 56353-15-2) should be stored in a cool, dry place (ideally 2-8°C), away from moisture and light. It requires airtight, dark-colored containers to maintain stability and prevent degradation. Avoid exposure to humidity and store in a well-ventilated area to ensure long-term preservation.