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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.

2pt; FONT-FAMILY: 宋体; mso-bidi-font-family: 宋体; mso-font-kerning: 0pt”>

Purpose

Intermediate of tetracaine.