1,3,5-trimethylhexahydro-1,3,5-triazine 1,3,5-trimethylhexahydro-1,3,5-triazine

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:108-74-7

mdl number:mfcd00006057

einecs number:203-612-8

rtecs number:xy9300000

brn number:none

pubchem number:24855400

physical property data

1. properties: undetermined

2. density (g/ml, 25℃): 0.91

3. relative vapor density (g/ml, air=1) : undetermined

4. melting point (ºc): -27

5. boiling point (ºc, normal pressure): 162-163.5

6. boiling point ( ºc, mm hg): not determined

7. refractive index (_d²⁰): 1.461-1.463

8. flash point (ºc): 49

9. specific rotation (ºc): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

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 (polymer) log value of the partition coefficient (alcohol/water): undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v ): undetermined

19. solubility: undetermined

toxicological data

1. acute toxicity: mouse intravenous ld50: 100mg/kg;

ecological data

none

molecular structure data

1. molar refractive index: 38.65

2. molar volume (cm³/mol): 139.6

3. isotonic specific volume (90.2k ): 319.6

4. surface tension (dyne/cm): 27.4

5. polarizability (10-24cm3): 15.32

calculate chemical numbers�

1. reference value for hydrophobic parameter calculation (xlogp): 0.4

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 9.7

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 63.3

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