Structural formula
| Business number | 03QL |
|---|---|
| Molecular formula | C12H13N |
| Molecular weight | 171.24 |
| label |
6-(1-methylethyl)quinoline, Isopropylquinoline, 6-(1-methylethyl)-quinolin, aromatic compounds |
Numbering system
CAS number:135-79-5
MDL number:MFCD00047615
EINECS number:205-220-2
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
Molecular property data: 1、 Molar refractive index：56.37 2、 Molar volume(m3 / mol):166.8 3、 Isotonic specific volume（90.2K）：420.2 4、 Surface tension（3.0 dyne/cm SPAN>):40.2 5、 Polarizability（ 0.5 10-24cm3): 22.34
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
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 12.9
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 165
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
” numbertype=”1″ tcsc=”0″ w:st=”on”>-24cm3):22.34
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
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 12.9
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 165
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
