hydrogen 2-aminoethyl sulfate

• ChemBase ID: 796543
• Molecular Formular: C2H6NO4S-
• Molecular Mass: 140.13834
• Monoisotopic Mass: 140.00175368
• SMILES: S(=O)(=O)(OCCN)[O-]
• Canonical SMILES: NCCOS(=O)(=O)[O-]
• InChI: InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)/p-1
• InChIKey: WSYUEVRAMDSJKL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 2-aminoethyl sulfate
• IUPAC Traditional name: hydrogen 2-aminoethyl sulfate
• Synonyms: 2-AMinoethyl hydrogen sulfate

Database IDs

• CAS Number: 926-39-6

CALCULATED PROPERTIES

• Acid pKa: -1.9803139
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2701707
• LogD (pH = 7.4): -2.2763677
• Log P: -2.2700942
• Molar Refractivity: 25.0812 cm^3
• Polarizability: 11.392195 Å^3
• Polar Surface Area: 92.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%