Structural formula
| Business number | 03QW |
|---|---|
| Molecular formula | C15H25ClN2O2 |
| Molecular weight | 300.83 |
| label |
4-(Butylamino)-benzoic acid-2-(dimethylamino)ethyl ester hydrochloride, Pantocaine, 4-(Butylamino)benzoic acid 2-(dimethylamino)ethyl ester, local anesthetic |
Numbering system
CAS number:136-47-0
MDL number:MFCD00038912
EINECS number:205-248-5
RTECS number:DG4900000
BRN number:None
PubChem number:24277740
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: 3
6. Topological molecule polar surface area 41.6
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 249
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: 2
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
