2-(3-aminooxetan-3-yl)ethan-1-ol hemioxalate - ≥97% , CAS No.1523618-22-5

CAS: 1523618-22-5 Cat. No.: A174483 Molecular Weight: 324.33 PubChem CID: 91663930

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488202512
• Canonical Smiles: C1C(CO1)(CCO)N.C1C(CO1)(CCO)N.C(=O)(C(=O)O)O
• IUPAC Name: 2-(3-aminooxetan-3-yl)ethanol;oxalic acid
• InChIKey: BLHWKHZGQDLSFG-UHFFFAOYSA-N
• INCHI: 1S/2C5H11NO2.C2H2O4/c2*6-5(1-2-7)3-8-4-5;3-1(4)2(5)6/h2*7H,1-4,6H2;(H,3,4)(H,5,6)
• Isomeric SMILES: C1C(CO1)(CCO)N.C1C(CO1)(CCO)N.C(=O)(C(=O)O)O
• PubChem CID: 91663930
• Molecular Weight: 324.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-aminoalcohols Oxetanes Oxacyclic compounds Dialkyl ethers Carboxylic acids Primary alcohols Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Dicarboxylic acid or derivatives - 1,3-aminoalcohol - Oxetane - Carboxylic acid - Dialkyl ether - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Primary alcohol - Primary amine - Amine - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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: 324.330 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 324.153 Da
• Monoisotopic Mass: 324.153 Da
• Topological Polar Surface Area: 186.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

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