N-Benzyl ethanolamine N-Benzyl ethanol amine
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