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. 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
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.
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