1,3-Dihydroxyacetone Oxime - ≥98% , CAS No.37110-18-2

CAS: 37110-18-2 Cat. No.: D154972 Molecular Weight: 105.09 Beilstein Registry Number: 1(3)3299

GRADE & PURITY ≥98%

Synonyms

1,3-Dihydroxypropan-2-oneoxime | A874184 | 1,3-Dihydroxyacetone Oxime | FT-0691276 | 2-(hydroxyimino)propane-1,3-diol | D2412 | MFCD00671518 | 2-hydroxyiminopropane-1,3-diol | AS-60574 | SCHEMBL8374316 | D90059 | 1,3-Dihydroxypropan-2-one oxime | AKOS0273

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 3-Dihydroxypropan-2-oneoxime | A874184 | 1, 3-Dihydroxyacetone Oxime | FT-0691276 | 2-(hydroxyimino)propane-1, 3-diol | D2412 | MFCD00671518 | 2-hydroxyiminopropane-1, 3-diol | AS-60574 | SCHEMBL8374316 | D90059 | 1, 3-Dihydroxypropan-2-one oxime | AKOS0273

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

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: 504770438
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770438
• Canonical Smiles: C(C(=NO)CO)O
• IUPAC Name: 2-hydroxyiminopropane-1,3-diol
• InChIKey: SESFQRDUAZRWAW-UHFFFAOYSA-N
• INCHI: 1S/C3H7NO3/c5-1-3(2-6)4-7/h5-7H,1-2H2
• Isomeric SMILES: C(C(=NO)CO)O
• Molecular Weight: 105.09
• Beilstein: 1(3)3299
• Reaxy-Rn: 1744012
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744012&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Oximes

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Oximes
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketoximes
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketoxime - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketoximes. These are organic compounds with the general formula RC(R')=NOH (R,R' = organyl).
• 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

• Sensitivity: Sensitive to heat; Sensitive to humidity
• Melt Point(°C): 84 °C
• Molecular Weight: 105.090 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 105.043 Da
• Monoisotopic Mass: 105.043 Da
• Topological Polar Surface Area: 73.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.599
• 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: 1