bis(carbonic acid) triamine

• ChemBase ID: 103629
• Molecular Formular: C2H13N3O6
• Molecular Mass: 175.14112
• Monoisotopic Mass: 175.08043515
• SMILES: N.N.N.OC(=O)O.OC(=O)O
• Canonical SMILES: OC(=O)O.OC(=O)O.N.N.N
• InChI: InChI=1S/2CH2O3.3H3N/c2*2-1(3)4;;;/h2*(H2,2,3,4);3*1H3
• InChIKey: KPUBIZJWWGSWGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(carbonic acid) triamine
• IUPAC Traditional name: bis(soda) triamine
• Synonyms: Hartshorn salt; AMMONIUM CARBONATE, ACS

Database IDs

• CAS Number: 506-87-6
• EC Number: 208-058-0
• PubChem SID: 162103015
• PubChem CID: 44134538

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 9.498199 cm^3
• Polarizability: 3.880898 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Protect from light
• RTECS: BP1925000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:58-36/37/38
• Safety Statements: S:20-25-26-37/39-61
• Emergency Response Guidebook(ERG) Number: 171

Product Information

• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02152493

ACS Reagent Grade
Assay ≥ 30% NH3