hexamethylenediaminecarbamate
structural formula
| business number | 03vp |
|---|---|
| molecular formula | c7h16n2o2 |
| molecular weight | 160.21 |
| label |
(6-aminohexyl)carbamic acid, (6-aminohexyl)-carbamic acid |
numbering system
cas number:143-06-6
mdl number:none
einecs number:205-581-6
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. physical property data:
1. melting point (ºc): 154-158 ºc
toxicological data
none
ecological data
3. ecology data:
generally not hazardous to water, do not discharge material into the surrounding environment without government permission.
molecular structure data
5. molecular property data:
1. molar refractive index:43.17
2. molar volume (cm3/mol): 151.2
3. isotonic specific volume (90.2k ):389.4
4. surface tension (dyne/ cm):44.0
5. polarizability（10-24cm3):17.11
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -2.2
2. number of hydrogen bond donors: 3
3. number of hydrogen bond acceptors: 3
p>
4. number of rotatable chemical bonds: 6
5. number of tautomers: 2
6. topological molecule polar surface area 75.4
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 107
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
stable under normal temperature and pressure.
storage method
save sealed in a cool place.
synthesis method
none
purpose
none
-2.2
2. number of hydrogen bond donors: 3
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 6
5. number of tautomers: 2
6. topological molecule polar surface area 75.4
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 107
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters :0
12. uncertain number of stereocenters of atoms: 0
13. determined number of stereocenters of chemical bonds: 0
14. uncertain number of stereocenters of chemical bonds number of structural centers: 0
15. number of covalent bond units: 1
properties and stability
stable under normal temperature and pressure.
storage method
save sealed in a cool place.
synthesis method
none
purpose
none