structural formula
| business number | 027f |
|---|---|
| molecular formula | c11h15no2 |
| molecular weight | 193.24 |
| label |
4-aminobenzoic acid n-butyl ester, n-butyl para-aminobenzoate, 4-aminobutylbenzoate, butylamphen, 4-(butoxycarbonyl)aniline, 4-amino-benzoic acid butylester, h2nc6h4co2(ch2)3ch3 |
numbering system
cas number:94-25-7
mdl number:mfcd00017112
einecs number:202-317-1
rtecs number:dg1530000
brn number:1211465
pubchem id:none
physical property data
1. character:white crystalline powder. tasteless. boiling it with water will slowly decompose it.
2. density (g/ml,25/4℃) : undetermined
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc):57～59
5. boiling point (ºc,normal pressure): undetermined
6. boiling point (ºc, 1.07kpa):174
7. refractive index: undetermined
8. flashpoint (ºc): undetermined
9. specific rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
water.
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index:56.16
2. molar volume (m3/mol):179.1
3. isotonic specific volume (90.2k): 457.3
4. surface tension (dyne/cm): 42.4
5. polarizability（10-24cm3):22.26
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: 5
5. number of tautomers: 3
6. topological molecule polar surface area 52.3
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 174
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 the product should be kept sealed.
synthesis method
para-aminobenzoic acid and n-aminobenzoic acid butanol is heated to reflux in the presence of concentrated sulfuric acid6h. after the reaction is completed, water is added for steam distillation to recover n-butanol. the distillate is cooled, and crude n-butyl sulfate p-aminobenzoate is precipitated. dissolve the crude product in hot water, neutralize it with concentrated ammonia, and precipitate n-butyl para-aminobenzoate, yield70-72%.
purpose
for organic synthesis. medicine (local anesthesia).
amily: arial; mso-hansi-font-family: arial”>):22.26
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: 5
5. number of tautomers: 3
6. topological molecule polar surface area 52.3
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 174
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 the product should be kept sealed.
synthesis method
para-aminobenzoic acid and n-aminobenzoic acid butanol is heated to reflux in the presence of concentrated sulfuric acid6h. after the reaction is completed, water is added for steam distillation to recover n-butanol. the distillate is cooled, and crude n-butyl sulfate p-aminobenzoate is precipitated. dissolve the crude product in hot water, neutralize it with concentrated ammonia, and precipitate n-butyl para-aminobenzoate, yield70-72%.
purpose
for organic synthesis. medicine (local anesthesia).
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