N-cyclohexylsulfamic acid

• ChemBase ID: 109330
• Molecular Formular: C6H13NO3S
• Molecular Mass: 179.23732
• Monoisotopic Mass: 179.06161428
• SMILES: OS(=O)(=O)NC1CCCCC1
• Canonical SMILES: OS(=O)(=O)NC1CCCCC1
• InChI: InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
• InChIKey: HCAJEUSONLESMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylsulfamic acid
• IUPAC Traditional name: sucaryl; cyclamate
• Synonyms: CYCLOHEXYLSULFAMIC ACID; cyclohexylsulfamic acid; Cyclamic acid; N-Cyclohexylsulfamic acid; Cyclamic acid; Cyclohexanesulfamic acid; N-Cyclohexylsulfamic Acid; Cyclohexylamidosulfuric Acid; Cyclohexylaminesulfonic Acid; Hexamic Acid; NSC 220327; Polycat 200; 环己氨磺酸; 环拉酸; 环己基氨基磺酸

Database IDs

• CAS Number: 100-88-9
• EC Number: 202-898-1
• MDL Number: MFCD00065234
• Beilstein Number: 2208885
• PubChem SID: 24857790; 162095010
• PubChem CID: 7533
• CHEBI ID: 15964
• Chemspider ID: 7252
• KEGG ID: D02442
• Unique Ingredient Identifier: HN3OFO5036
• Wikipedia Title: Cyclamic_acid

CALCULATED PROPERTIES

• Acid pKa: -0.8301796
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7698321
• LogD (pH = 7.4): -1.7698804
• Log P: 0.6065186
• Molar Refractivity: 41.2171 cm^3
• Polarizability: 17.082563 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: dioxane: soluble1 g/10 mL, clear, colorless (hot); DMSO; Methanol
• Apperance: White Solid
• Melting Point: ~180 °C (dec.); 204-206°C

Safety Information

• Storage Condition: Refrigerator
• RTECS: GV6950000
• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥98.0% (T)
• Salt Data: Free Base
• Empirical Formula (Hill Notation): C6H13NO3S

DETAILS

MP Biomedicals - 05210673

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 29550

Packaging
500 g in poly bottle

Toronto Research Chemicals - C987720

A non-nutritive sweetener.

REFERENCES

• Taylor, et al.: Food Cosmet. Toxicol., 6, 313 (1968)
• Brantom, et al.: Food Cosmet. Toxicol., 11, 735 (1968)