1. Introduction of Ethyl 3-aminopropanoate hydrochloride

Ethyl 3-aminopropanoate hydrochloride (4244-84-2), with the chemical name of b-Alanine, ethyl ester,hydrochloride (1:1), is one kind of white to off-white crystalline powder. The product's categories are Amino Acids Derivatives; Aliphatics; Esters; β-Alanine [β-Ala]; Amino hydrochloride. It is hygroscopic and stable under normal temperatures and pressures. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

2. Properties of Ethyl 3-aminopropanoate hydrochloride

The other characteristics of Ethyl 3-aminopropanoate hydrochloride can be summarized as: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.75; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.11; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 41.4 °C; (14)Enthalpy of Vaporization: 40.43 kJ/mol; (15)Vapour Pressure: 1.67 mmHg at 25°C; (16)Rotatable Bond Count: 4; (17)Exact Mass: 153.055656; (18)MonoIsotopic Mass: 153.055656; (19)Topological Polar Surface Area: 52.3; (20)Heavy Atom Count: 9; (21)Complexity: 72.8.

3. Structure Descriptors of Ethyl 3-aminopropanoate hydrochloride

You could convert the following datas into the molecular structure:
1. SMILES:Cl.O=C(OCC)CCN
2. InChI:InChI=1/C5H11NO2.ClH/c1-2-8-5(7)3-4-6;/h2-4,6H2,1H3;1H 
3. InChIKey:RJCGNNHKSNIUAT-UHFFFAOYAA

4. Preparation of Ethyl 3-aminopropanoate hydrochloride

Ethyl 3-aminopropanoate hydrochloride can be obtained by 3-azido-propionic acid ethyl ester. This reaction needs reagent triphenylphosphine and solvent tetrahydrofuran and H₂O at ambient temperature. The reaction time is 12 hours. The yield is 90%.

5. Uses of Ethyl 3-aminopropanoate hydrochloride

Ethyl 3-aminopropanoate hydrochloride is used as pharmaceutical intermediate. And it can react with furfural to get 3-[(furan-2-ylmethylene)-amino]-propionic acid ethyl ester. This reaction needs reagent triethylamine and solvent H₂O at ambient temperature. The reaction time is 20 min. The yield is 68 %.

 

6. Safety information of Ethyl 3-aminopropanoate hydrochloride

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 36/37/39-26-22-36
WGK Germany: 3
HazardClass: HYGROSCOPIC
HS Code: 29224995

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.