2-amino-2-(hydroxymethyl)propane-1,3-diol; nitric acid

• ChemBase ID: 133134
• Molecular Formular: C4H12N2O6
• Molecular Mass: 184.14788
• Monoisotopic Mass: 184.06953611
• SMILES: C(C(CO)(CO)N)O.[N+](=O)(O)[O-]
• Canonical SMILES: [O-][N+](=O)O.OCC(CO)(CO)N
• InChI: InChI=1S/C4H11NO3.HNO3/c5-4(1-6,2-7)3-8;2-1(3)4/h6-8H,1-3,5H2;(H,2,3,4)
• InChIKey: VEOXUNMAEXSIIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; nitric acid
• IUPAC Traditional name: acid, nitric; tris buffer
• Synonyms: Trizma® nitrate; 三(羟甲基)氨基甲烷硝酸盐; Trizma® 硝酸盐

Database IDs

• CAS Number: 41521-38-4
• MDL Number: MFCD00058325
• PubChem SID: 162227411
• PubChem CID: 21841845

CALCULATED PROPERTIES

• Acid pKa: 14.164156
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -5.6058097
• LogD (pH = 7.4): -4.264039
• Log P: -2.712229
• Molar Refractivity: 28.3555 cm^3
• Polarizability: 11.566923 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Grade: reagent grade

DETAILS

Sigma Aldrich - T7132

法律信息
Trizma 注册商标 Sigma-Aldrich Co. LLC