methyl (2S)-3-amino-2-hydroxy-propanoate;hydrochloride - ≥97% , CAS No.72185-81-0

CAS: 72185-81-0 Cat. No.: M636028 EC Number: 828-126-9 PubChem CID: 71757488

GRADE & PURITY ≥97%

Synonyms

EN300-120296 | (S)-methyl 3-amino-2-hydroxypropanoate hydrochloride | methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride | methyl (2S)-3-amino-2-hydroxypropanoate hydrochloride | D97235 | AS-77673 | SCHEMBL2239793 | VHMGYHFYSWICSP-DFWYDOINSA-N | Z15400

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

EN300-120296 | (S)-methyl 3-amino-2-hydroxypropanoate hydrochloride | methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride | methyl (2S)-3-amino-2-hydroxypropanoate hydrochloride | D97235 | AS-77673 | SCHEMBL2239793 | VHMGYHFYSWICSP-DFWYDOINSA-N | Z15400

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C(CN)O.Cl
• IUPAC Name: methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride
• InChIKey: VHMGYHFYSWICSP-DFWYDOINSA-N
• INCHI: 1S/C4H9NO3.ClH/c1-8-4(7)3(6)2-5;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1
• Isomeric SMILES: COC(=O)[C@H](CN)O.Cl
• Alternate CAS: 72185-81-0
• PubChem CID: 71757488

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: Monosaccharides Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Monosaccharide - Methyl ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Alcohol - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - 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: 155.580 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 155.035 Da
• Monoisotopic Mass: 155.035 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.400
• 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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