ChemicalBook--->CAS DataBase List--->997-55-7

997-55-7

997-55-7 Structure

997-55-7 Structure
IdentificationMore
[Name]

N-Acetyl-L-aspartic acid
[CAS]

997-55-7
[Synonyms]

AC-ASP-OH
ACETYL-L-ASPARTIC ACID
N-ACETYL-L-ASPARTIC ACID
N-AC-L-ASP
N-ALPHA-ACETYL-L-ASPARTIC ACID
acetylasparticacid
l-n-acetylasparticacid
n-acetylaspartate
n-acetylasparticacid
n-acetyl-l-asparticaci
D4001Ac-Asp-Oh
N-Acetyl-L-aspartic
(2S)-2-acetamidobutanedioic acid
A-METHYLCINNAMYLALDHYDE
(S)-2-(Acetylamino)butanedioic acid
Ac-L-Asp-OH
[EINECS(EC#)]

213-643-9
[Molecular Formula]

C6H9NO5
[MDL Number]

MFCD00020500
[Molecular Weight]

175.14
[MOL File]

997-55-7.mol
Questions And AnswerBack Directory
[Synthesis]

The acetylation of L-aspartic acid was achieved by first neutralizing to pH 7.0 with potassium carbonate, followed by the addition of acetic anhydride. The acetylated product was then purified by HPLC after acidification with hydrochloric acid.

Synthesis of 997-55-7

Chemical PropertiesBack Directory
[Melting point ]

137-140 °C(lit.)
[alpha ]

52 º (c=1, HAc)
[Boiling point ]

425.3±35.0 °C(Predicted)
[density ]

1.422±0.06 g/cm3(Predicted)
[storage temp. ]

Store at 0
[solubility ]

Aqueous Acid (Slightly, Sonicated), DMSO (Slightly, Heated)
[form ]

Solid
[pka]

3.14±0.10(Predicted)
[color ]

White to Off-Whiite
[Optical Rotation]

[α]20/D +12±1°, c = 2% in 6 M HCl
[Merck ]

13,845
[BRN ]

1726198
[Major Application]

peptide synthesis
[Cosmetics Ingredients Functions]

SKIN CONDITIONING
[InChI]

1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
[InChIKey]

OTCCIMWXFLJLIA-BYPYZUCNSA-N
[SMILES]

CC(=O)N[C@@H](CC(O)=O)C(O)=O
[CAS DataBase Reference]

997-55-7(CAS DataBase Reference)
[EPA Substance Registry System]

L-Aspartic acid, N-acetyl- (997-55-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

1
[RTECS ]

CI9098600
[HS Code ]

2924190090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Nutritional supplement; in forensic determination of age.
[Definition]

ChEBI: An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.
[reaction suitability]

reaction type: solution phase peptide synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

N-Acetyl-L-aspartic acid(997-55-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

997-55-7(sigmaaldrich)
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