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.
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