sodium N-cyclohexylsulfamate

• ChemBase ID: 129515
• Molecular Formular: C6H12NNaO3S
• Molecular Mass: 201.21915
• Monoisotopic Mass: 201.04355853
• SMILES: [Na+].O=S(=O)([O-])NC1CCCCC1
• Canonical SMILES: [O-]S(=O)(=O)NC1CCCCC1.[Na+]
• InChI: InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
• InChIKey: UDIPTWFVPPPURJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium N-cyclohexylsulfamate
• IUPAC Traditional name: sodium cyclohexylsulfamate
• Synonyms: N-Cyclohexylsulfamic acid sodium salt; Cyclamic acid sodium salt; Cyclohexanesulfamic acid sodium salt; Sodium cyclamate; Sodium cyclohexanesulfamate; Sodium N-cyclohexylsulfamate; Sodium cyclamate; Sodium cyclohexylsulfamate; Sodium N-cyclohexylsulfamate; Sodium Cyclamate; N-环己基氨基磺酸 钠盐; 环己烷氨基磺酸 钠盐; 环己烷氨基磺酸钠; 环拉酸 钠盐; 环拉酸钠; 环己基氨基磺酸钠; 环氨酸钠;环己基氨基磺酸钠;甜蜜素; 环己基氨基磺酸钠; 甜蜜素

Database IDs

• CAS Number: 139-05-9
• EC Number: 205-348-9
• MDL Number: MFCD00003827
• Beilstein Number: 4166868
• PubChem SID: 24886193; 24871485; 162223807
• PubChem CID: 23665706; 8751
• CHEMBL: 273977
• Chemspider ID: 8421
• Wikipedia Title: Sodium_cyclamate
• E Number: E952

CALCULATED PROPERTIES

• Acid pKa: -0.8301796
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7698321
• LogD (pH = 7.4): -1.7698804
• Log P: 0.6065186
• Molar Refractivity: 40.0954 cm^3
• Polarizability: 16.798344 Å^3
• Polar Surface Area: 69.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C
• Sweetness: 30 × sucrose

Safety Information

• RTECS: GV7350000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  1

  2

  0
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (T); 95+%; 98%
• Grade: analytical standard
• Packaging: pkg of 1 g
• Loss on Drying: ≤1.0% loss on drying
• Linear Formula: C6H11NHSO3Na

DETAILS

Sigma Aldrich - C9131

Biochem/physiol Actions
Phenylsulfamate sweet tastant detectable by humans. ′First generation′ sweetener studied in animal models for its carcinogenic potential.

Sigma Aldrich - 71440

Biochem/physiol Actions
Phenylsulfamate sweet tastant detectable by humans. ′First generation′ sweetener studied in animal models for its carcinogenic potential.
Packaging
250 g in glass bottle

Sigma Aldrich - 47827

Biochem/physiol Actions
Phenylsulfamate sweet tastant detectable by humans. ′First generation′ sweetener studied in animal models for its carcinogenic potential.