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
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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
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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