beta-Alanine

1. Introduction of β-Alanine

For being one kind of powder, β-Alanine has its IUPAC name of 3-aminopropanoic acid. It is an amino acid formed in vivo by the degradation of dihydrouracil and carnosine. It is a component of the naturally occurring peptides carnosine and anserine and also of pantothenic acid (vitamin B5) which itself is a component of coenzyme A. Besides, it should be stored in sealed container, and put in a cool and dry place, away from oxidant. As to the application of β-Alanine, it can be used as electroplating corrosion inhibitors and biochemical reagents.

2. Properties of β-Alanine

Physical properties about this chemical are: (1)ACD/LogP: -0.86; (2)ACD/LogD (pH 5.5): -3.36; (3)ACD/LogD (pH 7.4): -3.36; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 21.04 cm³; (14)Molar Volume: 76.3 cm³; (15)Polarizability: 8.34 ×10^-24cm³; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.166 g/cm³; (18)Flash Point: 97.2 °C; (19)Enthalpy of Vaporization: 52.2 kJ/mol; (20)Boiling Point: 237.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0156 mmHg at 25°C.

3. Structure Descriptors of β-Alanine

You could convert the following datas into the molecular structure:
(1). InChI: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
(2). InChIKey: InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N
(3). Smiles: C(C(O)=O)CN

4. Safety Information of β-Alanine

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 24/25-36-26
WGK Germany: 3
RTECS UA2369200
HS Code 29224920

5. Preparation of β-Alanine

Preparation of β-Alanine: it can be prepared by β-aminopropylnitrile through hydrolysis. In addition, it can be prepared by 3-nitro-propionic acid. This reaction will need reagent anhydrous ammonium formate, catalyst 10 percent Pd-C and solvent methanol. The reaction time is 20 minutes with ambient temperature. The yield is about 98%.



6. Uses of β-Alanine

Uses of β-Alanine: it is used as a raw material to synthesize calcium pantothenate. In addition, it can be used to get azetidin-2-one. This reaction will need reagents methanesulfonyl chloride and NaHCO₃, and solvent acetonitrile. The yield is about 80% at the reaction temperature of 80 °C.