Back to Search
Cyclamate
CAS: 139-05-9 | C6H13NNaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139-05-9
Molecular Formula:
C6H13NNaO3S
Molecular Mass:
202.23 g/mol
Names and Synonyms:
Cyclamate
Sulfamic acid, N-cyclohexyl-, sodium salt (1:1)
Cyclohexanesulfamic acid, monosodium salt
Sulfamic acid, cyclohexyl-, monosodium salt
Cyclamate sodium
Sodium cyclamate
Sodium cyclohexanesulfamate
Sodium cyclohexylsulfamate
Sodium sucaryl
Sucaryl sodium
Asugryn
N-Cyclohexylsulfamic acid sodium salt
Cyclohexylsulfamate sodium
Cyclohexylsulfamic acid sodium salt
Suestamin
Sugarin
Sugaron
Dulzor-Etas
Hachi-Sugar
Ibiosuc
Sucrum 7
Suessette
Sodium cyclohexylaminesulfonate
Acofarinas
Assugrin
Azucrona
Duplo-Sacarin
Natreen
Nutter
Identifiers:
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);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.23 g/mol | CAS Common Chemistry |
| 202.23099999999994 g/mol | RDKit | |
| 202.051383556 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclamate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)NC1CCCCC1 | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=HBYFMXJSJSZZBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium cyclamate | CAS Common Chemistry |
| Cyclamate | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.4 Ų | RDKit |
| LogP | 0.33069999999999977 | RDKit |
| Molar Refractivity | 47.311300000000024 | RDKit |
