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