structural formula
| business number | 02qd |
|---|---|
| molecular formula | c9h13no |
| molecular weight | 151.21 |
| label |
n-benzylethanolamine, n-benzylaminoethanol, 2-benzylaminoethanol, n-phenylethanolamine, hydroxyethylbenzylamine, n-hydroxyethylbenzylamine, (n-benzylamino)ethanol, 2-(phenylmethyl)amino-ethanol, 2-[(phenylmethyl)amino]-ethano, benzylaminoethanol, benzylethanolamine, ethanol, 2-(benzylamino)-, n-benzyleethanolamine |
numbering system
cas number:104-63-2
mdl number:mfcd00002840
einecs number:203-221-2
rtecs number:none
brn number:775164
pubchem number:24891635
physical property data
1. properties: undetermined
2. density (g/ml, 25℃): 1.065
3. relative vapor density (g/ml, air=1) : undetermined
4. melting point (ºc): undetermined
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc ,12mmhg): 153-156
7. refractive index: 1.543
8. flash point (ºc): 130
9. specific rotation (º ): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg,ºc): undetermined
12. saturated vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. explosion lower limit (%, v/v): undetermined
19. solubility: undetermined
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 45.56
2. molar volume (cm3/mol): 145.0
3. isotonic specific volume (90.2k ): 368.3
4. surface tension (dyne/cm): 41.5
5. dielectric constant:
6.dipole moment (10-24cm3):
7, polarizability: 18.06
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 32.3
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 89.6
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
