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Home> Encyclopedia >   /  Vitamins, Amino Acids and Coenzymes  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Organic Intermediate  /  Pharmaceuticals and Biochemicals
β-Alanine structure
β-Alanine structure

β-Alanine

Iupac Name:3-aminopropanoic acid
CAS No.:107-95-9
Molecular Weight:89.09318
Introduction: Beta-alanine is a non-proteogenic amino acid that is produced endogenously in the liver. In addition, humans acquire beta-alanine through the consumption of foods such as poultry and meat. By itself, the ergogenic properties of beta-alanine are limited; however, beta-alanine has been identified as the rate-limiting precursor to carnosine synthesis, and has been consistently shown to increase levels of carnosine in human skeletal muscle. Doses of 4 to 6 g/day of beta-alanine have been shown to increase muscle carnosine concentrations by up to 64 % after 4 weeks, and up to 80 % after 10 weeks. Baguet et al. demonstrated that individuals vary in the magnitude of response to 5 to 6 weeks of betaalanine supplementation (4.8 g/day), with high responders increasing muscle carnosine concentrations by an average of 55 %, and low responders increasing by an average of only 15 %. The difference between high and low responders seems, at least in part, to be related to baseline muscle carnosine content and muscle fiber composition.
1. Names and Identifiers
1.1 Name
β-Alanine
1.2 Synonyms

.beta.-Aminopropionic acid 2-Carboxyethylamine 3-amino- 3-aminopropanoate 3-Aminopropanoic acid 3-Aminopropionic acid 3-Aminopropionsaeure 3-azaniumylpropanoate a-Alanine Abufene Alanine (beta-) Alanine, beta- beta-Alanine (6CI,8CI,9CI) beta-aminopropionic acid beta-Aminopropionsaeure H-β-Alanine H-β-Ala-OH omega-Aminopropionic acid Propanoic acid, 3-amino- β-Aminopropionic acid

1.3 CAS No.
107-95-9
1.4 CID
239
1.5 EINECS(EC#)
203-536-5
1.6 Molecular Formula
C3H7NO2 (isomer)
1.7 Inchi
InChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
1.8 InChkey
UCMIRNVEIXFBKS-UHFFFAOYSA-N
1.9 Canonical Smiles
C(CN)C(=O)O
1.10 Isomers Smiles
C(CN)C(=O)O
2. 3D Conformer
3. Properties
3.1 Density
1,437
3.2 Melting Point
197-202℃
3.3 Boiling Point
201
3.4 Refractive Index
1.4650 (estimate)
3.5 Flash Point
204-206°C
3.6 Appearance
White crystals. Only naturally occurring beta amino acid
3.7 Chemical Properties
White powder
3.8 Color/Form
White
3.9 PH
6.0-7.5
3.10 pKa
[3.63]
3.11 Solubility
545 g/L
3.12 Stability
Stable. Keep dry.
3.13 StorageTemp
Store at RT.
3.14 Water solubility
Soluble in water(550g/L). Slightly soluble in alcohol. Insoluble in ether and acetone.
4. Use and Manufacturing
4.1 Definition
ChEBI: A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position.
4.2 Usage

Rate-limiting precursor of carnosine.

5. Safety and Handling
5.1 Hazard Codes
Xi
5.2 Risk Statements
R36/37/38
5.3 Safety Statements
S24/25
5.4 Safety
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:24/25-36-26
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:3
HS Code:29224920
5.5 Specification

White crystalline powder
Safety Statements:24/25-36-26
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
6. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

10. Computational chemical data
  • Molecular Weight:89.09318g/mol
  • Molecular Formula:C3H7NO2
  • XLogP3-AA:_3
  • Exact Mass:89.047678
  • Monoisotopic Mass:89.047678
  • Complexity:52.8
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3
  • Heavy Atom Count:6
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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