3,3′-diaminodipropylamine 3,3′-diaminodipropylamine
structural formula
| business number | 017a |
|---|---|
| molecular formula | c6h17n3 |
| molecular weight | 131.22 |
| label |
3,3′-iminodipropylamine, n-(3-aminopropyl)-1,3-propanediamine, dipropylenetriamine, norspermidine, (nh2ch2ch2ch2)2nh |
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. character: 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. flashpoint (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
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
p>
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.
; 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
p>
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.
affinity chromatography analysis of meta-amines. intermediates for the manufacture of soap, dyes, rubber, and chemicals. emulsifier. pesticides and medicines.