(S)-(-)-α-Amino-γ-butyrolactone hydrobromide - ≥98% , CAS No.15295-77-9

CAS: 15295-77-9 Cat. No.: I167498 Molecular Weight: 182.02 Beilstein Registry Number: 3912380 EC Number: 937-694-8

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1536657 | (S)-(-)-alpha-Amino-gamma-butyrolactone HBr | BCP19716 | (S)-(-)-alpha-Amino-gamma-butyrolactone hydrobromide, 99% | (S)-3-Aminodihydrofuran-2(3H)-onehydrobromide | L-(-)-alpha-Amino-gamma-butyrolactone hydrobromide | C4H8BrNO2 | L-Homose

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL1536657 | (S)-(-)-alpha-Amino-gamma-butyrolactone HBr | BCP19716 | (S)-(-)-alpha-Amino-gamma-butyrolactone hydrobromide, 99% | (S)-3-Aminodihydrofuran-2(3H)-onehydrobromide | L-(-)-alpha-Amino-gamma-butyrolactone hydrobromide | C4H8BrNO2 | L-Homose

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504768208
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768208
• Canonical Smiles: C1COC(=O)C1N.Br
• IUPAC Name: (3S)-3-aminooxolan-2-one;hydrobromide
• InChIKey: MKLNTBLOABOJFZ-DFWYDOINSA-N
• INCHI: 1S/C4H7NO2.BrH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
• Isomeric SMILES: C1COC(=O)[C@H]1N.Br
• WGK Germany: 3
• Molecular Weight: 182.02
• Beilstein: 3912380
• Reaxy-Rn: 4530084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4530084&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 acid esters

• 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
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Gamma butyrolactones Quaternary ammonium salts Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organic bromide salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Gamma butyrolactone - Oxolane - Quaternary ammonium salt - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic salt - Organic oxygen compound - Organic bromide salt - Carbonyl group - Amine - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

• Melt Point(°C): 258-260°C
• Molecular Weight: 182.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 180.974 Da
• Monoisotopic Mass: 180.974 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 91.700
• 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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