(S)-4-Aminotetrahydrofuran-2-one Hydrochloride - ≥98% , CAS No.117752-82-6

CAS: 117752-82-6 Cat. No.: S189909 Molecular Weight: 137.565 EC Number: 827-494-8 PubChem CID: 51064148

GRADE & PURITY ≥98%

Synonyms

AKOS006306175 | DTXSID90679724 | (4S)-4-aminooxolan-2-one;hydrochloride | (4S)-4-Aminooxolan-2-one--hydrogen chloride (1/1) | (S)-3-Amino-gamma-butyrolactone HCl | (S)-3-Amino-gamma-butyrolactonehydrochloride | DS-13971 | (S)-4-aminodihydrofuran-2(3H)-one

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS006306175 | DTXSID90679724 | (4S)-4-aminooxolan-2-one;hydrochloride | (4S)-4-Aminooxolan-2-one--hydrogen chloride (1/1) | (S)-3-Amino-gamma-butyrolactone HCl | (S)-3-Amino-gamma-butyrolactonehydrochloride | DS-13971 | (S)-4-aminodihydrofuran-2(3H)-one

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201483
• Canonical Smiles: C1C(COC1=O)N.Cl
• IUPAC Name: (4S)-4-aminooxolan-2-one;hydrochloride
• InChIKey: MZYONVUDAOYDKV-DFWYDOINSA-N
• INCHI: 1S/C4H7NO2.ClH/c5-3-1-4(6)7-2-3;/h3H,1-2,5H2;1H/t3-;/m0./s1
• Isomeric SMILES: C1[C@@H](COC1=O)N.Cl
• PubChem CID: 51064148
• Molecular Weight: 137.565

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Quaternary ammonium salts Oxolanes Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Oxolane - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic salt - Organic chloride salt - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen 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: 137.560 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 137.024 Da
• Monoisotopic Mass: 137.024 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

XLogP3