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Procaine hydrochloride

4月 26th, 2024 News

Procaine hydrochloride structural formula

Structural formula

Business number 014E
Molecular formula C13H21N2O2Cl
Molecular weight 272.78
label

4-Aminobenzoic acid-2-(diethylamino)ethyl ester monohydrochloride,

2-Diethylaminoethyl p-aminobenzoate hydrochloride,

2-Diethylaminoethyl 4-aminobenzoate hydrochloride,

2-(Diethylamino)ethyl p-aminobenzoate monohydrochloride,

Procain Hydrochloride,

Procaine hydrochloride,

H2NC6H4CO2CH2CH2N(C2H5)2·HCl

Numbering system

CAS number:51-05-8

MDL number:MFCD00013000

EINECS number:200-077-2

RTECS number:DG2275000

BRN number:3917802

PubChem number:24278665

Physical property data

1. Properties: Colorless monoclinic or triclinic hexagonal flaky crystals. Odorless. Has a numbing smell. Stable in air. It easily turns yellow when exposed to light.

2. Density (g/mL, 25/4?): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 153?156

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit ( %, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: 1g product dissolves in 1ml of water, 30ml ethanol. Slightly soluble in chloroform, almost insoluble in ether. The pH of 0.1mol/L aqueous solution is 6.0. The aqueous solution can be boiled for sterilization.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: Not available

2. Molar volume (cm3/mol): Not available

3. Isotonic specific volume ( 90.2K): Not available

4. Surface layout? (dyne/cm): Not available

5. Polarizability (10-24cm3): Not available

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 55.6

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 222

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

This product should be sealed and stored away from light.

Synthesis method

None

Purpose

Pharmaceuticals. Local anesthetic.

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butanol

4月 26th, 2024 News

Structural formula of synergistic ether

Structural formula

Business number 014D
Molecular formula C19H30O5
Molecular weight 338.44
label

Piperonyl butoxide,

3,4-methylenedioxy-6-(butoxyethoxyethoxymethyl)propylbenzene,

5-(2-(2-butoxyethoxy)ethoxymethyl)-6-propyl-1,3-benzodioxolane,

a-[2-(2-Butoxyethoxy)ethoxy]-4,5-methylenedioxy-2-propyltoluene,

6-Propylpiperonylbutyldiethylene glycol ether,

5-[[2-(Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole,

Synergist

Numbering system

CAS number:51-03-6

MDL number:MFCD00005842

EINECS number:200-076-7

RTECS number:XS8050000

BRN number:288063

PubChem number:24869144

Physical property data

1. Properties: Colorless and odorless liquid.

2. Density (g/mL, 25/4?): 1.055

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 1.33kPa): 180( 133.3pa)

7. Refractive index (n20D): 1.50

8 . Flash point (ºC): 171

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/ mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water ( Log value of the partition coefficient (octanol/water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/ V): Undetermined

19. Solubility: Miscible with methanol, ethanol, benzene, Freon and other organic solvents.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 93.81

2. Molar volume (cm3/mol): 317.3

3. Isotonic specific volume (90.2K ): 793.1

4. Surface tension (dyne/cm): 38.9

5. Polarizability (10-24cm3): 37.18

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 13

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 46.2

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 312

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Exist in smoke.

2. Large doses can cause vomiting and diarrhea.

Storage method

None

Synthesis method

It is produced by catalytic hydrogenation and reduction of safrole, chloromethylation with formaldehyde and hydrochloric acid, and etherification with butoxyethoxyethanol. Broad spectrum synergist.

Purpose

It can improve the insecticidal activity of pyrethrins, various pyrethroids, rotenone and carbamate insecticides.

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Piperine

4月 26th, 2024 News

Piperine structural formula

Structural formula

Business number 027X
Molecular formula C17H19NO3
Molecular weight 285.34
label

1-(5-(1,3-Benzodioxo-5-yl)-1-oxo-2,4-pentadienyl(-(E,E)-piperidine,

1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-(E,E)-Piperidine,

1-Piperoylpiperidine

Numbering system

CAS number:94-62-2

MDL number:MFCD00005839

EINECS number:202-348-0

RTECS number:TN2321500

BRN number:90741

PubChem number:24887584

Physical property data

1. Properties: white powder.

2. Density (g/mL, 20?): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 131-135

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 10mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

p>

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 85ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V /V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Almost insoluble in water, soluble in ethanol, benzene, acetic acid.

Toxicological data

1. Acute toxicity: Rat oral LD50: 514mg/kg

Mouse oral LD5O: 330mg/kg

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 82.14

2. Molar volume (cm3/mol): 235.4

3. Isotonic specific volume (90.2K ): 629.2

4. Surface tension (dyne/cm): 51.0

5. Polarizability (10-24cm3): 32.56

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 38.8

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 412

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertainty principleNumber of substereocenters: 0

13. Determined number of stereocenters of chemical bonds: 2

14. Uncertain number of stereocenters of chemical bonds: 0

15 .Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

Used as an additive for brandy to give it a spicy taste. Also used as insecticide. In addition, it is the main anticonvulsant ingredient in Chinese prescriptions for treating epilepsy (white pepper and radish). It is used as a spicy raw material in the food industry and has a bactericidal effect.

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