structural formula
| business number | 03uk |
|---|---|
| molecular formula | c21h45n3 |
| molecular weight | 339.60 |
| label |
1,3-bis(2-ethylhexyl)-5-methyl-aminohexahydropyrimidine, hexidine, 5-amino-1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidine, 5-amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine |
numbering system
cas number:141-94-6
mdl number:mfcd00010428
einecs number:205-513-5
rtecs number:none
brn number:161071
pubchem id:none
physical property data
1. physical property data
1. character: colorless liquid
2. density (g/ml,25/4℃):0.889
3. autoignition point or ignition temperature (ºc):70
4. boiling point (ºc,normal pressure):160ºc
5. refractive index: 1.4649
6. flashpoint (ºc): 70 ºc
toxicological data
none yet
ecological data
3. ecological data:
1, other harmful effects: this substance may be harmful to the environment, special attention should be paid to water bodies.
molecular structure data
5. molecular property data:
1. molar refractive index:107.91
2. molar volume (m3/ mol):388.5
3. isotonic specific volume (90.2k): 916.3
4. surface tension (dyne/cm): 30.9
5. polarizability1, other harmful effects: this substance may be harmful to the environment, special attention should be paid to water bodies.
molecular structure data
5. molecular property data:
1. molar refractive index:107.91
2. molar volume (m3/ mol):388.5
3. isotonic specific volume (90.2k): 916.3
4. surface tension (dyne/cm): 30.9
5. polarizability（10-24cm3):42.77
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 5.7
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 12
5. number of tautomers: none
6. topological molecule polar surface area 32.5
7. number of heavy atoms: 24
8. surface charge: 0
9. complexity: 292
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 2
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
stable under normal temperature and pressure. span>
storage method
stored sealed in a dry and cool place.
synthesis method
none yet
purpose
none yet
an style=”font-size: 9pt; font-family: 宋体; mso-ascii-font-family: ‘times new roman’; mso-hansi-font-family: ‘times new roman’; mso-bidi-font- family: arial”>（10-24cm3): 42.77
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 5.7
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 12
5. number of tautomers: none
6. topological molecule polar surface area 32.5
7. number of heavy atoms: 24
8. surface charge: 0
9. complexity: 292
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 2
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
stable under normal temperature and pressure. span>
storage method
stored sealed in a dry and cool place.
synthesis method
none yet
purpose
none yet
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