structural formula
| business number | 036e |
|---|---|
| molecular formula | c18h39n |
| molecular weight | 269.51 |
| label |
cetyl dimethyl tertiary amine, n,n-dimethyl-1-hexadecylamine, hexadecyl tertiary amine, dimethyl palmitylamine, hexadecyldimethylamine, 1-(dimethylamino)hexadecane, linear compound |
numbering system
cas number:112-69-6
mdl number:mfcd00015086
einecs number:203-997-2
rtecs number:mm0750000
brn number:1755921
pubchem number:24865258
physical property data
1. character: undetermined
2. density (g/ml,20℃):0.801
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc)：：undetermined
5. boiling point (ºc,normal pressure): undetermined
6. boiling point (ºc,kpa): undetermined
7. refractive index:1.444
8. flashpoint (ºc): undetermined
9. specific optical rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg,ºc): undetermined
12. saturated 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 partition coefficient for water: undetermined
17. explosion upper limit (%,v/v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility: undetermined
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 89.16
2. molar volume (m3/mol）：332.9
3. isotonic specific volume (90.2k):773.9
4. surface tension (dyne/cm):29.2
5. polarizability（10-24cm3):35.34
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 15
5. number of tautomers: none
6. topological molecule polar surface area 3.2
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 154
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
m-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>4. surface tension (dyne/cm）：29.2
5. polarizability（10-24cm3):35.34
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 15
5. number of tautomers: none
6. topological molecule polar surface area 3.2
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 154
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
