n-allylaniline

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:589-09-3

mdl number:mfcd00008638

einecs number:209-633-9

rtecs number:none

brn number:none

pubchem number:24890703

physical property data

1. physical property data

1. density:0.982

2. refractive index:1.563

3. flashpoint (°f):193

4. boiling point (ºc):218-220

toxicological data

none

ecological data

none

molecular structure data

none

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.5

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 12

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 92.9

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

resource:allhdi.com