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

CAS: 3012-65-5 Cat. No.: A102864 Formula: C₆H₁₄N₂O₇ Molecular Weight: 226.18 Beilstein Registry Number: 4925760 EC Number: 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

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

Specifications & Purity

AR, ≥98%

Storage

Room temperature

Shipped In

Normal

Grade

AR

Purity

≥98%

Names and Identifiers

Pubchem Sid

504752870

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752870

Canonical Smiles

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

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[NH4+].[NH4+]

WGK Germany

3

RTECS

GE7545000

UN Number

3077

Packing Group

III

Molecular Weight

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
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does AR mean?

AR is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. AR is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3012-65-5, the molecular formula is C6H14N2O7, and the molecular weight is 226.18 g/mol. InChIKey YXVFQADLFFNVDS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.