L-β-Homoalanine hydrochloride - ≥98% , CAS No.58610-41-6

CAS: 58610-41-6 Cat. No.: H117041 Molecular Weight: 139.58 Beilstein Registry Number: 4754597 EC Number: 676-212-8

GRADE & PURITY ≥98%

Synonyms

H-Ala-(C#CH2)OH.HCl | A8290 | h-beta-homoalanine hcl | 3-Aminobutanoic acid--hydrogen chloride (1/1) | (s)-3-amino-butyric acid hydrochloride | (s)-3-amino-butanoic acid hydrochloride salt | UHYVVUABAWKTJJ-DFWYDOINSA-N | MFCD01862873 | (s)-homo-beta-alani

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

H-Ala-(C#CH2)OH.HCl | A8290 | h-beta-homoalanine hcl | 3-Aminobutanoic acid--hydrogen chloride (1/1) | (s)-3-amino-butyric acid hydrochloride | (s)-3-amino-butanoic acid hydrochloride salt | UHYVVUABAWKTJJ-DFWYDOINSA-N | MFCD01862873 | (s)-homo-beta-alani

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488193224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193224
• Canonical Smiles: CC(CC(=O)O)N.Cl
• IUPAC Name: (3S)-3-aminobutanoic acid;hydrochloride
• InChIKey: UHYVVUABAWKTJJ-DFWYDOINSA-N
• INCHI: 1S/C4H9NO2.ClH/c1-3(5)2-4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1
• Isomeric SMILES: C[C@@H](CC(=O)O)N.Cl
• WGK Germany: 3
• Molecular Weight: 139.58
• Beilstein: 4754597
• Reaxy-Rn: 3680514
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3680514&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: Fatty acids and conjugates Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Fatty acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Hydrochloride - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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

• Molecular Weight: 139.580 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 139.04 Da
• Monoisotopic Mass: 139.04 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

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