997-55-7

Name N-Acetyl-L-aspartic acid
CAS 997-55-7
EINECS(EC#) 213-643-9
Molecular Formula C6H9NO5
MDL Number MFCD00020500
Molecular Weight 175.14
MOL File 997-55-7.mol
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Chemical Properties

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)
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Safety Data

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

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