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
