3,3′-diaminodipropylamine

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:56-18-8

mdl number:mfcd00008214

einecs number:200-261-2

rtecs number:jl9450000

brn number:1071254

pubchem number:24896102

physical property data

1. characteristics: colorless liquid.

2. density ( g/ml,25/4℃) ：0.938

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

4. melting point ( ºc): -14

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

6. boiling point ( ºc, 6.67kpa): 151

7. refractive index: 1.4810

8. flash point (ºc):118

9. specific optical rotation (º): undetermined

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

11. vapor pressure (kpa,25ºc): undetermined

12. saturation vapor pressure (kpa,60ºc): undetermined

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

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water) partition coefficient pair value: undetermined

17. explosion limit (%,v/v): not ok

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

19. solubility: soluble in water and polar organic solvents.

toxicological data

1, skin or eyes irritation: rabbit, skin contact, open irritation test, 470mg, moderate reaction; rabbit, eye contact, standard draize test, 47mg, strong reaction
2, acute toxicity: rat oral ld50: 738mg /kg; mouse oral administration ld50: 435mg/kg; rabbit oral administration ld50: 210mg/kg; rabbit, skin contact ld50: 110ul/kg；
rat subcutaneous ldlo: 200mg/kg; guinea pig oral ld50 ：258mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 40.51

2.   molar volume (m³ /mol):143.7

3. isotonic specific volume (90.2k):356.8

4. surface tension (dyne/cm):37.9

5. polarizability（10^-24cm³):16.06

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -1.4

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: none

6. topological molecule polar surface area 64.1

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 41.6

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

this product should be sealed and stored in a dry and dark place .

synthesis method

none

purpose

affinity chromatography analysis of meta-amines. intermediates for the manufacture of soap, dyes, rubber, and chemicals. emulsifier. pesticides and medicines.

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