β-Alanine methyl ester hydrochloride - ≥99% , CAS No.3196-73-4

CAS: 3196-73-4 Cat. No.: A104532 Molecular Weight: 139.58 Beilstein Registry Number: 3556748 EC Number: 831-677-8

GRADE & PURITY ≥99%

Synonyms

b-alanine methyl ester hydrochloride | beta-alanine methyl ester hcl | Methyl 3-aminopropanoate Hydrochloride | beta-Alanine methyl ester hydrochloride | A-Ala-OMe.HCl | Beta-alanine methyl ester, HCl | Methyl 3-aminopropionate hydrochloride | H-beta-Ala-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

b-alanine methyl ester hydrochloride | beta-alanine methyl ester hcl | Methyl 3-aminopropanoate Hydrochloride | beta-Alanine methyl ester hydrochloride | A-Ala-OMe.HCl | Beta-alanine methyl ester, HCl | Methyl 3-aminopropionate hydrochloride | H-beta-Ala-

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504761195
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761195
• Canonical Smiles: COC(=O)CCN.Cl
• IUPAC Name: methyl 3-aminopropanoate;hydrochloride
• InChIKey: XPGRZDJXVKFLHQ-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H
• Isomeric SMILES: COC(=O)CCN.Cl
• WGK Germany: 3
• Molecular Weight: 139.58
• Beilstein: 3556748
• Reaxy-Rn: 3556748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3556748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Hydrochloride - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: heat sensitive&Moisture sensitive.
• Melt Point(°C): 103-105°C
• Molecular Weight: 139.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.04 Da
• Monoisotopic Mass: 139.04 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yu Zang, Xiaomei Pei, Zhao Chen, Zhenggang Cui, Binglei Song.  (2026)  Thermo-Thickening Viscoelastic Solutions Formed From a Bicephalous Surfactant Containing a Long Saturated Alkyl Tail.  LANGMUIR,      [PMID:41645551] [10.1021/acs.langmuir.5c06307]