Structural formula
| Business number | 052G |
|---|---|
| Molecular formula | C13H17NO |
| Molecular weight | 203.28 |
| label |
N-Ethyl-o-crotonotoluidide, CH3CH=CHCON(C2H5)C6H4CH3 |
Numbering system
CAS number:483-63-6
MDL number:MFCD00026989
EINECS number:207-596-3
RTECS number:GQ7000000
BRN number:None
PubChem number:24847834
Physical property data
1. Character: Undetermined
2. Density (g/ m3,25/4℃): 0.987
3. Relative vapor density (g/cm3,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure):153
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index ：1.54
8. Flash Point (ºF):230
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: not OK
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
Acute toxicity: Orally administered to ratsLD50：1500mg/kg, no details except lethal dose;
Rat transperitonealLD50: 318mg/kg, no details except lethal dose;
Rat subcutaneouslyLD50: 1630mg/kg, no details except lethal dose;
Mouse oral LD50: 1600mg/kg, no details except lethal dose;
Mouse transabdominal LD50: 395mg/kg, no details except lethal dose;
Mouse subcutaneouslyLD50: 1393mg/kg, no details except lethal dose;
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1、 Molar refractive index:64.01
2、 Molar volume（m3/mol)：200.4
3, Isotonic specific volume (90.2K): 498.3
4、 Surface tension（dyne/cm)：38.1
5、 Polarizability(10-24cm3）：25.37
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
2. Number of hydrogen bond donors: 0
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 20.3
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 235
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: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.
Synthesis method
None yet
Purpose
Anti-scabies medicine, used to treat scabies and itchy skin.
