Ammonium citrate dibasic - AR, ≥98% , CAS No.3012-65-5

CAS: 3012-65-5 Cat. No.: A102864 Peso molecular: 226.18 Beilstein Registry Number: 4925760 Número EC: 221-146-3

GRADE & PURITY AR, ≥98%

Synonyms

ammonium hydrogen citrate | Ammonium monohydrogen citrate | Citrate (diammonium) | Citric acid, diammonium salt | Dibasic ammonium citrate | citric acid diammonium salt | HSDB 300 | Microstop | Citric acid ammonium salt | DIAMMONIUM CITRATE | Ammonium cit

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ammonium hydrogen citrate | Ammonium monohydrogen citrate | Citrate (diammonium) | Citric acid, diammonium salt | Dibasic ammonium citrate | citric acid diammonium salt | HSDB 300 | Microstop | Citric acid ammonium salt | DIAMMONIUM CITRATE | Ammonium cit

Especificaciones y pureza

AR, ≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

AR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752870
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752870
• Sonrisas canónicas: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[NH4+].[NH4+]
• IUPAC Name: diazanium;3-carboxy-3-hydroxypentanedioate
• InChIKey: YXVFQADLFFNVDS-UHFFFAOYSA-N
• INCHI: 1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3
• Isómeros SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[NH4+].[NH4+]
• WGK Alemania: 3
• RTECS: GE7545000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 226.18
• Beilstein: 4925760
• Reaxy-Rn: 18034579
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18034579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Alpha hydroxy acids and derivatives Tertiary alcohols Carboxylic acids Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: ammonium salt - citrate salt

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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Peso molecular: 226.180 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 226.08 Da
• Monoisotopic Mass: 226.08 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 216.000
• 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

XLogP3

Referencias

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