N-allylaniline
Structural formula
| Business number | 05ZT |
|---|---|
| Molecular formula | C9H11N |
| Molecular weight | 133.19 |
| label |
Allylaniline, N-allylaniline, Allylamine benzene, N-(2-propylene)aniline, C6H5NHCH2CH=CH2 |
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