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N-(2-cyanoethyl)-N-(2-hydroxyethyl)aniline

4月 29th, 2024 News

N-(2-cyanoethyl)-N-(2-hydroxyethyl)aniline structural formula

Structural formula

Business number 024Z
Molecular formula C11H14N2O
Molecular weight 190.24
label

N-(2-cyanoethyl)-N-hydroxyethylaniline,

3-[(2-hydroxyethyl)phenylamino]propionitrile,

N-(2-cyanoethyl)-N-(2-hydroxyethyl)aniline,

N-Cyanoethyl-hydroxyethyl aniline

Numbering system

CAS number:92-64-8

MDL number:MFCD00035705

EINECS number:202-174-5

RTECS number:UG2905000

BRN number:2369849

PubChem number:24874374

Physical property data

1. Properties: Oily liquid.

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

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

4. Melting point (ºC): Not determined

5. Boiling point (ºC, normal pressure): Not determined

6. Boiling point (ºC, 5.2kPa): Not determined Determined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

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

12. Saturation 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: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.91

2. Molar volume (cm3/mol): 167.8

3. Isotonic specific volume (90.2K ): 453.6

4. Surface tension (dyne/cm): 53.3

5. Polarizability (10-24cm3): 22.16

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: none

6. Topological molecule polar surface area 47.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 191

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12.??Determine the number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Used in the production of dyes such as Disperse Red S-FL and Disperse Red 3GFL.

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Scopolamine

4月 29th, 2024 News

Structural formula of Scopolamine

Structural formula

Business number 024Y
Molecular formula C10H8O4
Molecular weight 192.17
label

7-hydroxy-6-methoxycoumarin,

7-hydroxy-6-methoxy-1,2-benzopyrone,

Scopololactone,

6-Methoxyumbelliferone,

7-Hydroxy-6-Methoxycoumarin,

Chrysatropic acid

Numbering system

CAS number:92-61-5

MDL number:MFCD00006872

EINECS number:202-171-9

RTECS number:GN6930000

BRN number:156296

PubChem number:24899524

Physical property data

1. Character: needle-like or prismatic crystal

2. Density (g/mL, 25/4?): 1.034

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

4. Melting point (ºC): 204

5. Boiling point (ºC, normal pressure): 413.5

6 .       Boiling point (ºC, 94.7kpa): Undetermined

7.                                                                       Boiling point (ºC, 94.7kpa): Not determined

7.         Refractive index (n20D): 1.377

8. Flash point (ºC): 172.4

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. Logarithmic 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: Slightly soluble in water or cold ethanol, soluble in hot ethanol or hot glacial acetic acid, easily soluble in chloroform, almost insoluble in benzene.

Toxicological data

irritating

Ecological data

None

Molecular structure data

1. Molar refractive index: 48.32

2. Molar volume (cm3/mol): 139.5

3. Isotonic specific volume (90.2K ): 379.4

4. Surface tension (dyne/cm): 54.7

5. Polarizability (10-24cm3)?19.15

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Yes??Number of chemical bonds converted: 1

5. Number of tautomers: 5

6. Topological molecule polar surface area 55.8

7. Heavy atoms Number: 14

8. Surface charge: 0

9. Complexity: 261

10. Number of isotope atoms: 0

11. Determine the number of stereocenters of atoms: 0

12. Determine the number of stereocenters of atoms: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Exists in flue-cured tobacco leaves, burley tobacco leaves and smoke.

Storage method

This product should be kept sealed.

Synthesis method

1. Tobacco: FC, 6, 9, 53, 59; BU, 6, 9.

Purpose

Plant growth hormone. It has the functions of dispelling wind, anti-inflammatory, analgesic and eliminating phlegm.

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N-ethyl-N-phenylbenzylamine

4月 29th, 2024 News

N-ethyl-N-phenylbenzylamine structural formula

Structural formula

Business number 024X
Molecular formula C15H17N
Molecular weight 211.3
label

N-ethyl-N-benzylaniline,

benzyl ethyl aniline,

N-ethyl-N-benzylaniline,

Benzylethylaniline,

Ethylphenylbenzylamine,

Ethylbenzylaniline,

N-ethyl-N-phenylbenzylamine,

benzyl ethylamine benzene,

Amine, benzylethylphenyl

Numbering system

CAS number:92-59-1

MDL number:MFCD00009037

EINECS number:202-169-8

RTECS number:None

BRN number:2099852

PubChem number:24846581

Physical property data

1. Properties: light yellow oily liquid

2. Density (g/mL, 25/4?): 1.034

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

4. Melting point (ºC): 34-36

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

6. Boiling point (ºC, 94.7kpa): 285-286

7. Refractive index: 1.5930

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º): Not determined

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

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

p>

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

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

19. Dissolution Properties: Soluble in ethanol, ether, chloroform and other organic solvents, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 69.68

2. Molar volume (cm3/mol): 204.6

3. Isotonic specific volume (90.2K ): 521.2

4. Surface tension (dyne/cm): 42.0

5. Polarizability (10-24cm3): 27.62

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: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Heavy Number of atoms: 16

8. Surface charge: 0

9. Complexity: 178

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

Storage method

This product should be sealed and stored in a cool place away from light.

Synthesis method

It is derived from the reaction of ethylaniline and benzyl chloride. In a lead-lined kettle, add ethyl aniline, add benzyl chloride while cooling, stir for 10 hours, and then keep warm at 100°C for 12 hours. After washing with sodium hydroxide solution, the finished product is obtained by vacuum distillation. Diethylaniline can also be used as raw material. The molar ratio of diethylaniline to benzyl chloride is 2:1. Add 1% of the input amount of diethylaniline as iodine catalyst, react at 150°C for 20 hours, and vacuum distill to obtain the finished product.

Purpose

Dye intermediates. Used in the manufacture of acid brilliant green SF, acid brilliant blue 6B, acid lake blue A, acid green 6B, acid violet 4BNS, acid orange 50, red 119, blue 5, 7, green 5, 15, 65, cationic blue 65 and other dyes .

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