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