2-(butylamino)ethanol 2-(butylamino)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:111-75-1

mdl number:mfcd00020570

einecs number:203-904-5

rtecs number:kk0175000

brn number:1732522

pubchem number:24870738

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 34.97

2. molar volume (m³/mol）：133.8

3. isotonic specific volume (90.2k):315.5

4. surface tension (dyne/cm):30.8

5. polarizability（10^-24cm³):13.86

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 5

5. number of tautomers: none

6. topological molecule polar surface area 32.3

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 39.5

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