2-(Isopropylamino)ethanol 2-(Isopropylamino)ethanol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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