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