2-(isopropylamino)ethanol 2-(isopropylamino)ethanol
structural formula
| business number | 02z6 |
|---|---|
| molecular formula | c5h13no |
| molecular weight | 103.16 |
| label |
2-[(1-methylethyl)amino]ethanol, n-isopropyl-hydroxy-ethanamine, n-isopropylethanolamine, (n-hydroxyethyl)isopropylamine, 2-((1-methylethyl)amino)-ethano, 2-((1-methylethyl)amino)ethanol, 2-(isopropylamino)-ethano, 2-[(1-methylethyl)amino]-ethano, 2-[(1-methylethyl)amino]-ethanol, aliphatic compounds |
numbering system
cas number:109-56-8
mdl number:mfcd00041755
einecs number:203-681-4
rtecs number:kl5080000
brn number:1633453
pubchem number:24870646
physical property data
1. properties: undetermined
2. density (g/ml, 25℃): 0.92
3. relative vapor density (g/ml, air=1) : undetermined
4. melting point (ºc): undetermined
5. boiling point (ºc, normal pressure): 172
6. boiling point (ºc, kpa): undetermined
7. refractive index: 1.441
8. flash point (ºc): 78
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, ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
p>
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: undetermined
toxicological data
1. acute toxicity: mouse oral ld50: 1250mg/kg
2. reproductive toxicity: rat oral tdlo: 50mg/kg (5 days after conception in female rats)
ecological data
none yet
molecular structure data
1. molar refractive index: 30.30
2. molar volume (cm3/mol): 117.7
3. isotonic specific volume (90.2k ): 273.1
4. surface tension (dyne/cm): 28.9
5. polarizability (10-24cm3): 12.01
calculate chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.1
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
p>
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 32.3
7. number of heavy atoms: 7
8. surface charge: 0
9. complexity: 37.1
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet