1,3,5-Trimethylhexahydro-1,3,5-triazine 1,3,5-Trimethylhexahydro-1,3,5-triazine
Structural formula
| Business number | 02XU |
|---|---|
| Molecular formula | C6H15N3 |
| Molecular weight | 129.20 |
| label |
Hexahydro-1,3,5-trimethyl-S-triazine, 1,3,5-trimethylhexahydro-1,3,5-triazine, TIMTEC-BB SBB008536, Trimethylcyclotrimethylenetriamine, 1,3,5-Trimethyl-1,3,5-triazinane, 1,3,5-Trimethylhexahydro-s-triazine, 1,3,5-Trimethylhexahydro-sym-triazine, 3,5-Triazine,hexahydro-1,3,5-trimethyl-1, 5-Triazine,hexahydro-1,3,5-trimethyl-3, F7771 |
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