hexamethylenediaminecarbamate

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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