2-hydroxypropane-1,2,3-tricarboxylic acid triamine

• ChemBase ID: 87352
• Molecular Formular: C6H17N3O7
• Molecular Mass: 243.21508
• Monoisotopic Mass: 243.1066499
• SMILES: OC(=O)CC(CC(=O)O)(C(=O)O)O.N.N.N
• Canonical SMILES: OC(=O)C(CC(=O)O)(CC(=O)O)O.N.N.N
• InChI: InChI=1S/C6H8O7.3H3N/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);3*1H3
• InChIKey: YWYZEGXAUVWDED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropane-1,2,3-tricarboxylic acid triamine
• IUPAC Traditional name: citro triamine
• Synonyms: Triammonium citrate; 2-Hydroxypropane-1,2,3-tricarboxylic acid triammoniate; Ammonium citrate tribasic; Triammonium citrate 99-101%; Citric acid triammonium salt; AMMONIUM CITRATE TRIBASIC ANHYDROUS; Ammonium citrate tribasic; 柠檬酸 三铵盐; 柠檬酸三铵

Database IDs

• CAS Number: 3458-72-8
• EC Number: 222-394-5
• MDL Number: MFCD00036406
• Beilstein Number: 3779194
• PubChem SID: 24890533; 162074458
• PubChem CID: 13725959

CALCULATED PROPERTIES

• Acid pKa: 3.0479515
• H Acceptors: 7
• H Donor: 4
• LogD (pH = 5.5): -4.949584
• LogD (pH = 7.4): -9.468992
• Log P: -1.3226875
• Molar Refractivity: 35.6239 cm^3
• Polarizability: 14.4795475 Å^3
• Polar Surface Area: 132.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Melting Point: 185 °C (dec.)(lit.); 185°C; ca 180°C dec.
• Boiling Point: 100 °C(lit.)
• Density: 1 g/mL at 25 °C(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97% (titration); ≥97.0% (T); 97+%; 98%
• Grade: purum
• Linear Formula: HOC(CO2NH4)(CH2CO2NH4)2

DETAILS

MP Biomedicals - 02193849

Tribasic
Anhydrous
Purity: 98%

Sigma Aldrich - A1332

包装
100, 500 g in poly bottle