Amitriptyline

Amitriptyline structural formula

Structural formula

Business number 013R
Molecular formula C20H23N
Molecular weight 277.14
label

3-(10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-ylidene)-N,N-dimethyl-1-propylamine,

Amitriptyline hydrochloride,

Amitriptyline,

3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine

Numbering system

CAS number:50-48-6

MDL number:None

EINECS number:200-041-6

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Uncertain

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

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

4. Melting point (ºC): 196-197°C

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific optical rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

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

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

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

19. Solubility: water solubility 9.7 mg/mL

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 88.7

2. Molar volume (cm3/mol): 262.7

3. Isotonic specific volume (90.2K ): 684.4

4. Surface tension (dyne/cm): 47.3

5. Polarizability (10-24cm3): 35.16

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: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 331

10. Number of isotope atoms: 0

11. Determine the atomic stereocenterQuantity: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. No Determine the number of stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

extended-reading:https://www.bdmaee.net/polycat-15-catalyst-cas68479-98-1-evonik-germany/
extended-reading:https://www.newtopchem.com/archives/39723
extended-reading:https://www.newtopchem.com/archives/category/products/page/84
extended-reading:https://www.newtopchem.com/archives/40275
extended-reading:https://www.bdmaee.net/fascat2001-catalyst/
extended-reading:https://www.newtopchem.com/archives/45137
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/13.jpg
extended-reading:https://www.cyclohexylamine.net/cas-3164-85-0-k-15-k-15-catalyst/
extended-reading:https://www.newtopchem.com/archives/43957
extended-reading:https://www.bdmaee.net/nt-cat-a-305-catalyst-cas1739-84-0-newtopchem/

Desipramine

Desipramine structural formula

Structural formula

Business number 013Q
Molecular formula C18H22N2
Molecular weight 266.38
label

Normipramine,

3-(10,11-dihydro-5H-dibenzo[b,f]azepine-5-yl)-N-methylpropan-1-amine,

3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine

Numbering system

CAS number:50-47-5

MDL number:None

EINECS number:200-040-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white crystalline powder


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


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, 2.67 Pa):172? 174


7. Refractive index:Undetermined


8. Flash point (ºC): Undetermined


9. Specific optical rotation (º ): Undetermined


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


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


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


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


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/ Log value of the partition coefficient of water:3.7


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


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


19. Solubility:Undetermined


Toxicological data

None

Ecological data

None

Molecular structure data

None

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: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 15.3

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 267

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.

Synthesis method

By dibenzo It is prepared from azepine as raw material.

Purpose

for antidepressants , which blocks oxamine neurotransmitters such as norepinephrine or5- The role of serotonin recycling. Used to treat various forms of depression.

extended-reading:https://www.morpholine.org/cas-108-01-0/
extended-reading:https://www.bdmaee.net/ethyl-4-bromobutyrate/
extended-reading:https://www.bdmaee.net/toyocat-dt-strong-foaming-catalyst-pentamethyldiethylenetriamine-tosoh/
extended-reading:https://www.newtopchem.com/archives/category/products/page/121
extended-reading:https://www.cyclohexylamine.net/nn-dicyclohexylmethylamine-2/
extended-reading:https://www.bdmaee.net/soft-foam-pipeline-composite-amine-catalyst/
extended-reading:https://www.bdmaee.net/niax-a-537-delayed-gel-type-tertiary-amine-catalyst-momentive/
extended-reading:https://www.bdmaee.net/dibutyl-tin-maleate-cas78-04-6-tributyl-tin-oxide/
extended-reading:https://www.cyclohexylamine.net/tetrachloroethylene-perchloroethylene-cas127-18-4/
extended-reading:https://www.newtopchem.com/archives/category/products/page/20

2,3-Dichlorobenzoic acid

2,3-Dichlorobenzoic acid structural formula

Structural formula

Business number 013P
Molecular formula C7H4Cl2O2
Molecular weight 191.01
label

Cl2C6H3CO2H

Numbering system

CAS number:50-45-3

MDL number:MFCD00002413

EINECS number:200-039-5

RTECS number:DG6475000

BRN number:1946217

PubChem number:24853491

Physical property data

1. Character: white crystal

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

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

4. Melting point (ºC): 168.3 °C (lit.)

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

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º): Undetermined

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

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

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

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

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

19. Solubility: Slightly soluble in water

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 900mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.97

2. Molar volume (cm3/mol): 125.8

3. Isotonic specific volume (90.2K ): 341.1

4. Surface tension (dyne/cm): 53.9

5. Polarizability (10-24cm3): 17.03

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 161

10. Number of isotope atoms: 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13.??The number of definite chemical bond stereocenters: 0

14. The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

None

Storage method

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

Synthesis method

Use 2,3-dichloroaniline through diazotization and Malvais reaction to obtain 2,3-dichlorobenzaldehyde, and then oxidize it with potassium permanganate to obtain 2,3-dichlorobenzoic acid. Total yield 45%

Purpose

2,3-Dichlorobenzoic acid is an important intermediate in the synthesis of the specific anti-epileptic drug lamotrigine and other drugs for the treatment of central nervous disorders

extended-reading:https://www.newtopchem.com/archives/44888
extended-reading:https://www.morpholine.org/nn-dicyclohexylmethylamine/
extended-reading:https://www.newtopchem.com/archives/44245
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/Polyurethane-rigid-foam-catalyst-CAS15875-13-5-Jeffcat-TR-90.pdf
extended-reading:https://www.bdmaee.net/dabco-pt303-tertiary-amine-catalyst-dabco-pt303-catalyst-dabco-pt303/
extended-reading:https://www.newtopchem.com/archives/category/products/page/58
extended-reading:https://www.bdmaee.net/catalyst-a400/
extended-reading:https://www.morpholine.org/high-quality-cas-108-01-0-nn-dimethyl-ethanolamine-2-dimethylamineethanol-dmea-dimethylethanolamine/
extended-reading:https://www.bdmaee.net/pc-12/
extended-reading:https://www.newtopchem.com/archives/44995