3-(Methylamino)-L-alanine hydrochloride - ≥97% , CAS No.16012-55-8

CAS: 16012-55-8 Cat. No.: S132658 Molecular Weight: 154.6 EC Number: 815-715-0

GRADE & PURITY ≥97%

Synonyms

(2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride | (S)-2-AMINO-3-(METHYLAMINO)PROPANOIC ACID HCL | L-Alanine, 3-(methylamino)-, hydrochloride (1:1) | BMAA (hydrochloride) | 3-(Methylamino)-L-alanine hydrochloride | L-BMAA HYDROCHLORIDE | BCP26260

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride | (S)-2-AMINO-3-(METHYLAMINO)PROPANOIC ACID HCL | L-Alanine, 3-(methylamino)-, hydrochloride (1:1) | BMAA (hydrochloride) | 3-(Methylamino)-L-alanine hydrochloride | L-BMAA HYDROCHLORIDE | BCP26260

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Neurotoxic glutamate agonist originally isolated from Cycas circinalis. Implicated in the pathogenesis of amyotrophic lateral sclerosis-Parkinsonism-dementia complex of Guam (Guam ALS-PD).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CNCC(C(=O)O)N.Cl
• IUPAC Name: (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride
• InChIKey: VDXYGASOGLSIDM-DFWYDOINSA-N
• INCHI: 1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/t3-;/m0./s1
• Isomeric SMILES: CNC[C@@H](C(=O)O)N.Cl
• Molecular Weight: 154.6
• Reaxy-Rn: 5597954
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5597954&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 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Amine - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-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: Solvent:water, Max Conc. mg/mL: 9.28, Max Conc. mM: 60
• Molecular Weight: 154.590 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 154.051 Da
• Monoisotopic Mass: 154.051 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 84.100
• 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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