Toluene diisocyanate manufacturer Knowledge 4-(Butylamino)ethyl benzoate

4-(Butylamino)ethyl benzoate

4-(butylamino)benzoic acid ethyl ester structural formula

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. Polarizability10-24cm3):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. Polarizability10-24cm3):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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