N-Methyltaurine N-Methyltaurine
Structural formula
| Business number | 02VM |
|---|---|
| Molecular formula | C3H9NO3S |
| Molecular weight | 139.17 |
| label |
2-(N-Methylamino)ethanesulfonic acid |
Numbering system
CAS number:107-68-6
MDL number:None
EINECS number:203-510-3
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 242
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC) , kPa): Not determined
7. Refractive index (D20): Not determined
8. Flash point ( ºC): Not determined
9. Specific rotation (ºC): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturation vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/ Log value of the distribution coefficient (water): Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 29.93
2. Molar volume (cm3/mol): 105.4
3. Isotonic specific volume (90.2K ): 279.3
4. Surface tension (dyne/cm): 49.3
5. Polarizability (10-24cm3): 11.86
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -3.6
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 74.8
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 133
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None