structural formula
| business number | 0347 |
|---|---|
| molecular formula | c6h15no |
| molecular weight | 117.19 |
| label |
butylethanolamine, 2-butylamine ethanol, n-butyl-2-hydroxyethylamine, n-butylethanolamine, linear compound |
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
