aminomethanesulfonic acid

• ChemBase ID: 112571
• Molecular Formular: CH5NO3S
• Molecular Mass: 111.1203
• Monoisotopic Mass: 110.99901403
• SMILES: NCS(=O)(=O)O
• Canonical SMILES: NCS(=O)(=O)O
• InChI: InChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)
• InChIKey: OBESRABRARNZJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aminomethanesulfonic acid
• IUPAC Traditional name: aminomethanesulfonic acid
• Synonyms: AMINO METHANE SULFONIC ACID; Aminomethanesulfonic acid; Aminomethylsulfonic acid; aminomethanesulfonic acid; 氨基甲磺酸; 氨基甲烷磺酸

Database IDs

• CAS Number: 13881-91-9
• EC Number: 237-649-6
• MDL Number: MFCD00008124
• Beilstein Number: 1811756
• PubChem SID: 24847780; 162097649
• PubChem CID: 83791

CALCULATED PROPERTIES

• Acid pKa: -3.65618
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6634035
• LogD (pH = 7.4): -2.9488444
• Log P: -2.6579957
• Molar Refractivity: 19.849 cm^3
• Polarizability: 8.932908 Å^3
• Polar Surface Area: 80.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184 °C (dec.)(lit.); ca 180°C dec.
• Hydrophobicity(logP): -4.216

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2585; UN2585
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2585 8/PG 3

Product Information

• Purity: ≥95.0% (T); 95%; 97%
• Grade: purum
• Linear Formula: NH2CH2SO3H

DETAILS

MP Biomedicals - 05224679

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 127442

Packaging
10, 50 g in glass bottle