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aminopurine

5月 14th, 2024 News

Aminopurine Structural Formula

Structural formula

Business number 016G
Molecular formula C19H24N8O7
Molecular weight 440.41
label

4-Amino-PGA,

4-Aminofolic acid,

4-Aminopteroyl-L-glutamic acid

Numbering system

CAS number:54-62-6

MDL number:MFCD00036692

EINECS number:200-209-9

RTECS number:MA1050000

BRN number:69045

PubChem number:24278186

Physical property data

1. Traits: Yellow needle-like crystals. Sensitive to light and air.


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


3. relative steam Density (g/mL,Air=1) : Undetermined


4. Melting point (ºC): 230~235(decomposition)


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


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


7. Refractive Index: Undetermined


8. Flash point (ºC) : Undetermined


9. Specific rotation (º, C=1, 0.1mol/LSodium hydroxide solution):[?]D20 +18±2°


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 (octanol/Log value of water) partition coefficient: Undetermined


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


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


19. Solubility: Soluble in sodium hydroxide solution.

Toxicological data

None

Ecological data

None

Molecular structure data


1. Molar refractive index: 114.27


2. Molar volume (m3/mol):277.1


3. isotonic specific volume (90.2K):883.6


4. Surface Tension (dyne/cm):103.3


5. Polarizability?10-24cm3): 45.30

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):-2


2. Number of hydrogen bond donors: 6


3. Number of hydrogen bond acceptors: 12


4. Number of rotatable chemical bonds: 9


5. Number of tautomers: 36


6. Topological molecular polar surface area (TPSA):219


7. Number of heavy atoms: 32


8. Surface charge: 0


9. Complexity: 674


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 1


12. The number of uncertain atomic stereocenters: 0


13. Determine the number of stereocenters of chemical bonds: 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 sealed, dry and protected from light.

Synthesis method

None

Purpose

Anti-tumor drugs. It can be used to treat psoriasis skin disease and can also be used to treat acute and subacute childhood leukemia.


Biochemical research. Antifolates.

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2-methylbutyraldehyde

5月 14th, 2024 News

2-Methylbutyraldehyde Structural Formula

Structural formula

Business number 02AL
Molecular formula C5H10O
Molecular weight 86.13
label

2-formylbutane,

a-Methylbutyraldehyde,

2-Methylbutanal,

2-Formylbutane

Numbering system

CAS number:96-17-3

MDL number:MFCD00006984

EINECS number:202-485-6

RTECS number:ES3400000

BRN number:1633540

PubChem number:24896832

Physical property data

1. Properties: colorless to light yellow liquid.

2. Density (g/mL, 20?): 0.804

3. Relative density (20?, 4?): 0.8029

4. Relative Density (25?, 4?): 0.7980

5. Boiling point (ºC, normal pressure): 92 ~93

6. Refractive index at room temperature (n20): 1.3896

7. Refractive index (n20D): 1.3869

8. Flash point (ºC): 4

9. Refractive index at room temperature (n25): 1.3871

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

11. Vapor pressure (mmHg, ºC): 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

p>

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

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

19. Solubility: Slightly soluble in water, soluble in ethanol, ether, acetone and propylene glycol.

Toxicological data

1. Skin/eye irritation

Open irritation test: rabbit, skin contact: 500mg, severity of reaction: mild.

Standard Draize test: Rabbit, eye contact: 500mg/24H, severity of reaction: severe.

Standard Draize test: Rabbit, eye contact: 500mg/24H, severity of reaction: mild.

Standard Draize test: guinea pig, skin contact: 100%/24H, severity of reaction: moderate.

2. Acute toxicity: Rat oral LD50: 6400mg/kg; Rat inhalation LC50: 14000ppm/4H; Rabbit skin contact LD50: 5730?L/kg; Guinea pig skin contact LD50: >20mg /kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 25.35

2. Molar volume (cm3/mol): 108.7

3. Isotonic specific volume (90.2K ): 237.3

4??? Surface tension (dyne/cm): 22.6

5. Polarizability (10-24cm3): 10.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 41.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

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

1. Avoid contact with strong oxidants and air.

2. Exist in flue-cured tobacco leaves and smoke.

3. Naturally found in cheese, fish, and onions.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire, heat sources, anti-static and anti-explosion. The package is sealed and must not come into contact with air. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. It is obtained by oxidation of sec-butylmethanol separated from fusel oil. Derived from the reduction of methylbutyric acid.

2. Tobacco: FC, 40.

Purpose

1. Used as food spices.

2. Used for baked goods, frozen dairy products, and pudding.

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N-(3-fluorophenyl)anthranilic acid

5月 14th, 2024 News

N-(3-fluorophenyl)anthranilic acid structural formula

Structural formula

Business number 016F
Molecular formula C13H10FNO2
Molecular weight 231.22
label

N-(3-fluorophenyl)anthranilic acid,

2-((3-fluorophenyl)amino)-benzoic acid

Numbering system

CAS number:54-59-1

MDL number:MFCD01675228

EINECS number:None

RTECS number:CB3060000

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 362mg/kg;

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 62.55


2. Molar volume (m3/mol): 172.2


3. isotonic specific volume (90.2K):469.8


4. Surface Tension (dyne/cm):55.4


5. Polarizability?10-24cm3): 24.79

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):5


2. Number of hydrogen bond donors: 2


3. Number of hydrogen bond acceptors: 4


4. Number of rotatable chemical bonds: 3


5. Number of tautomers: 2


6. Topological molecular polar surface area (TPSA):49.3


7. Number of heavy atoms: 17


8. Surface charge: 0


9. Complexity: 272


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


12. The number of uncertain atomic stereocenters: 0


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


14. Uncertain number of 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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