n-methyltaurine n-methyltaurine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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