3-ethylaniline

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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