3-ethylaniline
structural formula
| business number | 05yz |
|---|---|
| molecular formula | c8h11n |
| molecular weight | 121 |
| label |
m-ethylaniline, m-ethylaniline, amines and anilines, amines and anilines, nitrogen-containing compounds |
numbering system
cas number:587-02-0
mdl number:mfcd00007818
einecs number:209-594-8
rtecs number:bx9770000
brn number:636282
pubchem number:24850503
physical property data
1. melting point (ºc): -64
2. boiling point (ºc, normal pressure): 212, 94ºc (0.8kpa)
3. density (d254) : 0.9896
4. refractive index (n20/d): 1.555(lit.)
5. flash point (ºc): 85
6. solubility: soluble in ethanol and ether.
toxicological data
none
ecological data
none
molecular structure data
molecular property data:
1. molar refractive index: 40.03
2. molar volume (cm3/mol): 124.5
3. etc. zhangratong (90.2k): 309.7
4. surface tension (dyne/cm): 38.2
5. polarizability (10-24cm3): 15.87
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 26
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 80.6
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
1. exist in smoke.
storage method
none
synthesis method
none
purpose
none
