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
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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
