(2-aminoethoxy)sulfonic acid

• ChemBase ID: 105549
• Molecular Formular: C2H7NO4S
• Molecular Mass: 141.14628
• Monoisotopic Mass: 141.00957871
• SMILES: NCCOS(=O)(=O)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)
• InChIKey: WSYUEVRAMDSJKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethoxy)sulfonic acid
• IUPAC Traditional name: ethanolamine O-sulfate
• Synonyms: Aminoethyl sulfate; 2-Aminoethyl hydrogen sulphate; Sulfuric acid mono 2-aminoethyl ester; WAS-34; Ethanolamine-O-sulfate; Sulfuric acid mono 2-aminoethylester; 2-Aminoethyl hydrogen sulfate; Ethanolamine O-Sulfate; 2-AMINOETHYL HYDROGEN SULFATE; AMINOETHYL HYDROGEN SULFATE PRACTICAL GRADE; 氨乙醇硫酸氢酯; 2-氨基乙基硫酸氢酯

Database IDs

• CAS Number: 926-39-6
• EC Number: 205-786-0; 213-135-7
• MDL Number: MFCD00008179
• Beilstein Number: 1704079
• PubChem SID: 24845962; 162093842
• PubChem CID: 5245535; 70223
• Chemspider ID: 63409
• Wikipedia Title: Ethanolamine-O-sulfate

CALCULATED PROPERTIES

• Acid pKa: -1.9803139
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2701707
• LogD (pH = 7.4): -2.2763677
• Log P: -2.2700942
• Molar Refractivity: 26.2029 cm^3
• Polarizability: 11.511116 Å^3
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 222-223°C; 277 °C (dec.); 277 °C (dec.)(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: KJ6371000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; R22 R36/37/38
• Safety Statements: 26-36; S26 S36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~97%; ≥98.0% (T); 95+%; 97%
• Grade: PRACTICAL
• Linear Formula: NH2CH2CH2OSO3H

DETAILS

MP Biomedicals - 05215440

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02191210

Purity: ~97%