N-Acetyl-DL-alanine

HCID 7345CAS 1115-69-1

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Basic information

Standard SMILES: CC(=O)NC(C)C(=O)O
InChIKey: KTHDTJVBEPMMGL-UHFFFAOYSA-N
Molecular formula: C5H9NO3
Average molar mass: 131.13 g/mol
Monoisotopic mass: 131.05824315

Overview

N-Acetyl-DL-alanine is a N-acyl-amino acid.

Names & identifiers

Preferred name: N-Acetyl-DL-alanine
IUPAC: 2-acetamidopropanoic acid
English name: 2-Acetylamino-propionic acid
Molecular formula: C5H9NO3
Molecular weight: 131.13

Names & synonyms

N-Acetyl-DL-alanine1115-69-1RefChem:1091517214-229-02-acetamidopropanoic acidAc-DL-Ala-OH2-Acetylaminopropionic acidMFCD00037238DL-Alanine, N-acetyl-2-(acetylamino)propanoic acidAcetyl-DL-AlanineAlanine, N-acetyl-

Show more names

AC-DL-AlaAC-DL-Aal-OHAC-DL-ALANINEN-Ac-DL-Ala-OHN-ACETYL-DL-ALAN-Acety-Dl-alanine

N-Acetyl-DL-2-aminopropionic AcidN-alpha-Acetyl-DL-alanines3094n-acetyl-alanineN-Acetylalanine #N-Acetylalanine; 2-(Acetylamino)propanoic Acid; 2-Acetamidopropionic Acid; Acetyl-DL-alanine; NSC 43118;EINECS 214-229-0N-acetyl-D,L-alanine

Database identifiers

CAS: 1115-69-1、19436-52-3、97-69-8
PubChem CID: 7345
DTXSID: DTXSID001359963
ChEBI: CHEBI:170067
EC Number: 214-229-0
Nikkaji: J21.920G

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 137 · 137-139°C
Boiling point: 369.7 · 369.7±25.0 °C(Predicted)
Density: 1.17 · 1.170±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 3.69 · 3.69±0.10(Predicted)
color: White to Off-White
BRN: 774333 · 774333
CAS DataBase Reference: 1115 · 1115-69-1(CAS DataBase Reference)
Hazard Codes: Xi
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT, KEEP COLD
HS Code: 29225090 · 29225090

Safety & regulation

Safety data

wgk: 3
hs_code: 29225090
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT, KEEP COLD

Chemistry & industry

Applications

UsesN-Acetyl-DL-alanine is a derivative of DL-Alanine (A481400) and is used as a reagent in the synthesis of potent new agents for the treatment of epilepsy.