(R)-3-Amino-gamma-butyrolactone hydrochloride - ≥98% , CAS No.117752-88-2

CAS: 117752-88-2 Cat. No.: R189910 Molecular Weight: 137.565 EC Number: 868-674-6 PubChem CID: 53350318

GRADE & PURITY ≥98%

Synonyms

(R)-3-Amino-gamma-butyrolactonehydrochloride | (4R)-4-AMINOOXOLAN-2-ONE HCL | (4R)-4-Aminotetrahydrofuran-2-one hydrochloride | (R)-4-amino-dihydrofuran-2(3H)-one hydrochloride | (R)-4-Aminodihydrofuran-2(3H)-one hydrochloride | EN300-7394785 | J-502212 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(R)-3-Amino-gamma-butyrolactonehydrochloride | (4R)-4-AMINOOXOLAN-2-ONE HCL | (4R)-4-Aminotetrahydrofuran-2-one hydrochloride | (R)-4-amino-dihydrofuran-2(3H)-one hydrochloride | (R)-4-Aminodihydrofuran-2(3H)-one hydrochloride | EN300-7394785 | J-502212 |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201582
• Canonical Smiles: C1C(COC1=O)N.Cl
• IUPAC Name: (4R)-4-aminooxolan-2-one;hydrochloride
• InChIKey: MZYONVUDAOYDKV-AENDTGMFSA-N
• INCHI: 1S/C4H7NO2.ClH/c5-3-1-4(6)7-2-3;/h3H,1-2,5H2;1H/t3-;/m1./s1
• Isomeric SMILES: C1[C@H](COC1=O)N.Cl
• PubChem CID: 53350318
• 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: Oxolanes Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Amine - Primary amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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

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