4-(Butylamino)ethyl benzoate
Structural formula
| Business number | 027J |
|---|---|
| Molecular formula | C13H19NO2 |
| Molecular weight | 221.30 |
| label |
Ethyl p-(butylamino)benzoate, 4-(n-Butylamino)ethyl benzoate, Ethyl parabutylaminobenzoate, 4-(Butylamino)-benzoicacythylester, Ethyl p-butylaminobenzoat, CH3(CH2)3NHC6H4CO2C2H5 |
Numbering system
CAS number:94-32-6
MDL number:MFCD00017283
EINECS number:202-322-9
RTECS number:None
BRN number:None
PubChem number:24867545
Physical property data
1. Character:Crystalline compound
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): 68-70
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºCOil and water (octanol/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index:66.16
2. Molar volume (m3/mol):212.8
3. Isotonic specific volume (90.2K): 530.1
4. Surface tension (dyne/cm): 38.5
5. Polarizability（10-24cm3):26.23
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: 3
6. Topological molecule polar surface area 38.3
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 198
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 yet
Storage method
This product should be stored in a sealed, cool, dry place.
Synthesis method
Use p-aminobenzene This product is produced by condensation (butylation) of ethyl formate (benzocaine) and butane bromide under the action of sodium sulfonate.
Purpose
Intermediate of tetracaine.
erif'”>m3/mol):212.8
3. Isotonic specific volume (90.2K): 530.1
4. Surface tension (dyne/cm): 38.5
5. Polarizability（10-24cm3):26.23
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: 3
6. Topological molecule polar surface area 38.3
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 198
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 yet
Storage method
This product should be stored in a sealed, cool, dry place.
Synthesis method
Use p-aminobenzene This product is produced by condensation (butylation) of ethyl formate (benzocaine) and butane bromide under the action of sodium sulfonate.
Purpose
Intermediate of tetracaine.
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Purpose
Intermediate of tetracaine.