structural formula
| business number | 02sd |
|---|---|
| molecular formula | c7h19n3 |
| molecular weight | 145.25 |
| label |
n,n-bis(3-aminopropyl)methylamine, methyliminobis(n-propylamine), n-methyl-3,3′-diaminodipropylamine, n-methylbis(3-aminopropyl)amine |
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
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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
