diammonium carbonate

• ChemBase ID: 295308
• Molecular Formular: CH8N2O3
• Molecular Mass: 96.08582
• Monoisotopic Mass: 96.05349213
• SMILES: C(=O)([O-])[O-].[NH4+].[NH4+]
• Canonical SMILES: [O-]C(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3
• InChIKey: PRKQVKDSMLBJBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium carbonate
• IUPAC Traditional name: diammonium carbonate
• Synonyms: Ammonium carbonate, ACS, NH; Ammonium carbonate, NH; Ammonium carbonate, Puratronic®; 30.0+%; ca 30%; 碳酸铵, Puratronic®

Database IDs

• CAS Number: 506-87-6
• EC Number: 208-058-0
• MDL Number: MFCD00010890
• Beilstein Number: 3627235
• Merck Index: 14508
• PubChem SID: 180680839
• PubChem CID: 517111

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Slowly soluble in water (1:4 portion). Decomposes in hot water
• Apperance: Powder
• Melting Point: 60°C subl.

Safety Information

• Storage Warning: Hygroscopic
• RTECS: BP1925000
• European Hazard Symbols: X; Irritant (Xi)
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.999% (metals basis)