n-n-propylethylenediamine n-(n-propyl)ethylenediamine

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:111-39-7

mdl number:mfcd00008172

einecs number:203-864-9

rtecs number:none

brn number:1697232

pubchem number:24858652

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 32.34

2. molar volume (m³/mol）：123.5

3. isotonic specific volume (90.2k):288.0

4. surface tension (dyne/cm):29.5

5. polarizability（10^-24cm³):12.82

compute chemical data

1. reference value for calculation of hydrophobic parameters (xlogp): -0.3

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

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4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 38

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 29.3

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

none

storage method

none

synthesis method

none

purpose

none