Ammonium tartrate dibasic - AR, ≥99% , CAS No.3164-29-2

CAS: 3164-29-2 Cat. No.: A103700 Molecular Weight: 184.15 Beilstein Registry Number: 6120352 EC Number: 221-618-9

GRADE & PURITY AR, ≥99%

Synonyms

Ammonium [R-(R*,R*)]-tartrate | AMMONIUM TARTRATE | Ammonium(+)-tartrate | NGPGDYLVALNKEG-UHFFFAOYSA-N | SCHEMBL41454 | tartaric acid di-ammonium salt | Ammonium L-(+)-Tartrate | SCHEMBL8871185 | diazanium;2,3-dihydroxybutanedioate | AKOS030228488

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Synonyms

Ammonium [R-(R*, R*)]-tartrate | AMMONIUM TARTRATE | Ammonium(+)-tartrate | NGPGDYLVALNKEG-UHFFFAOYSA-N | SCHEMBL41454 | tartaric acid di-ammonium salt | Ammonium L-(+)-Tartrate | SCHEMBL8871185 | diazanium;2, 3-dihydroxybutanedioate | AKOS030228488

Specifications & Purity

AR, ≥99%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Grade

AR

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488192259
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192259
• Canonical Smiles: C(C(C(=O)[O-])O)(C(=O)[O-])O.[NH4+].[NH4+]
• IUPAC Name: diazanium;2,3-dihydroxybutanedioate
• InChIKey: NGPGDYLVALNKEG-UHFFFAOYSA-N
• INCHI: 1S/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3
• Isomeric SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.[NH4+].[NH4+]
• WGK Germany: 3
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 184.15
• Beilstein: 6120352
• Reaxy-Rn: 13248178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13248178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid salts 1,2-diols Carboxylic acids Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon 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

• Solubility: Soluble in water and alcohol.
• Sensitivity: Moisture sensitive.
• Specific Rotation[α]: 33° (C=1,H2O)
• Molecular Weight: 184.150 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 184.07 Da
• Monoisotopic Mass: 184.07 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 123.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

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