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
