n,n-bis(3-aminopropyl)methylamine n,n-bis(aminopropyl)methylamine

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:105-83-9

mdl number:mfcd00008217

einecs number:203-336-8

rtecs number:jl9625000

brn number:none

pubchem number:24851162

physical property data

1. characteristics: undetermined

2. density (g/ml, 25℃): undetermined

3. relative vapor density (g/ml, air=1 ): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): 110

6. boiling point (ºc , mmhg): not determined

7. refractive index: not determined

8. flash point (ºc): not determined

9. specific rotation ( º): not determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20ºc): not determined

12. saturated vapor pressure (kpa, 25ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined determined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17 . explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: undetermined

p>

toxicological data

1. skin/eye irritation: start irritation test: rabbit skin contact, 100μg/24h; standard dresser test: rabbit eye contact, 5mgreaction severity, strong reaction; 2. acute toxicity: rat oral ld50: 1540μl/kg ; rat inhalation lclo: 333ppm/1h; rabbit skin contact ld50: 140μl/kg;

ecological data

none

molecular structure data

1. molar refractive index: 45.27

2. molar volume (cm³/mol): 158.6

3. isotonic specific volume (90.2k ): 394.4

4. surface tension (dyne/cm): 38.1

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 17.94

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.9

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 55.3

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 57.9

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