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4-(dimethylamino)-3′-methylazobenzene

5月 16th, 2024 News

4-(dimethylamino)-3'-methylazobenzene structural formula

Structural formula

Business number 016Z
Molecular formula C15H17N3
Molecular weight 239.32
label

3′-MDAB

Numbering system

CAS number:55-80-1

MDL number:None

EINECS number:200-243-4

RTECS number:BX8250000

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 76.08


2. Molar volume (m3/mol??234.6


3. isotonic specific volume (90.2K):574.6


4. Surface Tension (dyne/cm):36.0


5. Polarizability?10-24cm3):30.16

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: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 28

7. Number of heavy atoms: 18

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

None

Synthesis method

None

Purpose

None

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EDT

5月 16th, 2024 News

EDT structural formula

Structural formula

Business number 01H5
Molecular formula C18H20Cl2
Molecular weight 307.26
label

Ethylan,

B Didi,

1,1-Dichloro-2,2-bis(p-ethylphenyl)ethane,

1,1-Dichloro-2,2-bis(p-ethylphenyl)ethane,

Organochlorine pesticides

Numbering system

CAS number:72-56-0

MDL number:MFCD00045254

EINECS number:200-785-1

RTECS number:KH5790000

BRN number:2054366

PubChem number:24869130

Physical property data

Toxicological data

Acute toxicity: Rat oral LD50: 6600 mg/kg; Rat intravenous LD50 ?73 mg/kg?


Mouse oral LD50: 6600 mg/kg; Mouse veinLD50: 173 mg/kg; Wild Bird Oral ScriptureLD50: 9 mg/kg;
Tumorogenic: miceOral SutraTDLo?210 gm/kg/2Y-C;Mouse oral passageTD?547 gm/kg/2Y-C;
Reproduction: Mouse subcutaneous injectionTDLo ?900 mg/kgSEX/DURATION: female 6-14 day(s) after conception;
Mutagenic:SalmonellaGene mutation microbial testing system?333 ug/plate;

Ecological data

None

Molecular structure data

1. Molar refractive index:88.95


2. Molar volume (m3/mol??274.8


3. Isotonic specific volume (90.2K): 684.2


4. Surface Tension (dyne/cm):38.3


5. Polarizability?10-24cm3):35.26

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 6.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 237

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

None

Synthesis method

None

Purpose

None

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thioridazine

5月 16th, 2024 News

Thioridazine structural formula

Structural formula

Business number 013U
Molecular formula C21H26N2S2
Molecular weight 370.57
label

thioridazine,

10-[2-(1-methyl-2-piperidinyl)ethyl]-2-methylthio-10H-phenothiazine,

thioridazine,

Thiopridine,

thioetherazine,

10-((1-methyl-2-piperidyl)ethyl)-2-(methylthio)-phenothiazin,

10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylthio)-10h-phenothiazin,

10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylthio)-phenothiazin,

10-(2-(1-Methyl-2-piperidyl)ethyl)-2-(methylthio)phenothiazine

Numbering system

CAS number:50-52-2

MDL number:MFCD00242875

EINECS number:200-044-2

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Crystal.

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

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

4. Melting point (ºC): 72?74?

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

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

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, 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: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 112.80

2. Molar volume (cm3/mol): 299.5

3. Isotonic specific volume (90.2K): 829.1

4. Surface Tension (dyne/cm): 58.6

5. Polarizability (10-24cm3): 44.71

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: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 57.1

7. Number of heavy atoms: 25

8. Surface charge: 0

9. Complexity: 432

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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 dry place away from light.

Synthesis method

This product is crystallized from acetone

Purpose

This product has a sedative effect and is used for patients with neurosis, alcohol dependence withdrawal, chorea, mental disorders accompanied by tension, anxiety and somatosensory abnormalities, and schizophrenia patients. It also has obvious anticholinergic effects. The preparation is a tablet.

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