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2-methylbutylamine

5月 13th, 2024 News

2-methylbutylamine structural formula

Structural formula

Business number 02AK
Molecular formula C5H13N
Molecular weight 87.16
label

2-Methyl-1-butylamine,

1-amino-2-methylbutane,

1-Amino-2-methylbutane,

2-Methyl-1-butylamine

Numbering system

CAS number:96-15-1

MDL number:MFCD00008147

EINECS number:202-483-5

RTECS number:None

BRN number:1718806

PubChem number:24853176

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20?): 0.738

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 94-97

6. Boiling point (ºC, kPa): Undetermined

p>

7. Refractive index (n20D): 1.4116

8. Flash point (ºC ): 3

9. Specific optical rotation (º): Undetermined

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

16. Oil and water (octanol/water) Log value of distribution 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: 28.70

2. Molar volume (cm3/mol): 115.1

3. Isotonic specific volume (90.2K ): 257.4

4. Surface tension (dyne/cm): 25.0

5. Polarizability (10-24cm3): 11.38

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 27.1

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

1. Exist in smoke.

Storage method

None

Synthesis method

None

Purpose

Used in organic synthesis.

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Pyridoxal-5-phosphate

5月 13th, 2024 News

Pyridoxal-5-phosphate structural formula

Structural formula

Business number 016E
Molecular formula C8H10NO6P
Molecular weight 247.14
label

Pyridoxal phosphate,

Pyraldin phosphate,

Pyridoxal-5-phosphate

Numbering system

CAS number:54-47-7

MDL number:None

EINECS number:200-208-3

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Off-white or yellow powder, Soluble in dilute acid, it is zero Color, yellow in alkali. Virtually odorless and tasteless.


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


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


4. Melting point (ºC):140-143?


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


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


7. Refractive Index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical 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 (octanol/??) Log value of partition coefficient: undetermined


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


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


19. Solubility:Slightly soluble in alcohol, soluble in200 Part of water, insoluble In chloroform, benzene, acetone, ether. Stable in a cold place away from light.

Toxicological data

1, acute toxicity: rat oral LD50: 5900 mg/kg; Rat subcutaneous LD50: 850 mg/kg; Small Mouse oral LD50: 4640 mg/kg; Mouse subcutaneous: 870 mg/kg;
Mouse intravenous LD50: 530 mg/kg; Mouse intramuscular LD50?1150 mg/kg;
2, mutagenicity.?DNA‘s damageTEST system: Bacteria – E. coli: 50umol/L

Ecological data

None

Molecular structure data


1. Molar refractive index: 54.40


2. Molar volume (m3/mol??150.8


3. isotonic specific volume (90.2K):461.1


4. Surface Tension (dyne/cm):87.3


5. Polarizability?10-24cm3):21.56

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 4

6. Topological molecule polar surface area 117

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 292

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 in4?Save in dry place and away from light.

Synthesis method

None

Purpose

The main drug of vitamin B6, suitable for the treatment of acute and chronic eczema and dermatitis , Urticaria, pustular eruptions, pruritus, seborrheic eczema, scaly eruptions, drug eruptions, angular stomatitis, cheilitis, glossitis, pregnancy reactions, asthma, etc.

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3-methylpentane

5月 13th, 2024 News

3-methylpentane structural formula

Structural formula

Business number 02AJ
Molecular formula C6H14
Molecular weight 86.18
label

3-methylphenol methyl ester,

Diethylmethylmethane,

(±)-3-methyl-pentene,

3-Methylpentan,

3-Methyl-pentan,

spectrum analysis

Numbering system

CAS number:96-14-0

MDL number:MFCD00009342

EINECS number:202-481-4

RTECS number:SA2995500

BRN number:1730734

PubChem number:24885749

Physical property data

1. Properties: Colorless, transparent and volatile liquid. [1]

2. Melting point (?): -118[2]

3. Boiling point (?): 63.3[3]

4. Relative density (water = 1): 0.66[4]

5. Relative vapor Density (air=1): 2.97[5]

6. Saturated vapor pressure (kPa): 20.5 (20?)[6]

7. Heat of combustion (kJ/mol): -4155.5[7]

8. Critical temperature (?): 231.2[8]

9. Critical pressure (MPa): 3.12[9]

10. Octanol/water partition coefficient: 3.6 [10]

11. Flash point (?): <-20[11]

12. Ignition temperature (?) ?278[12]

13. Explosion upper limit (%): 7.0[13]

14. Explosion lower limit (%) %): 1.2[14]

15. Solubility: Insoluble in water, slightly soluble in ether, acetone, benzene, soluble in ethanol. [15]

16. Critical compression factor: 0.274

17. Critical volume (cm3·mol -1): 368

18. Critical density (g·cm-3): 0.234

19. Eccentricity factor: 0.274

20. Lennard-Jones parameter (A): 11.54

21. Lennard-Jones parameter (K): 169.3

22. Solubility parameter (J· cm-3)0.5: 14.674

23. van der Waals area (cm2·mol– 1): 9.630×109

24. van der Waals volume (cm3·mol-1): 68.250

25. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -4189.77

26. Gas phase standard claim Heat (enthalpy) (kJ·mol-1): -172.09

27. Gas phase standard entropy (J·mol-1·K-1): 383.0

28. Gas phase standard free energy of formation (kJ·mol-1): -3.3

29. Gas phase standard hot melt (J·mol-1·K-1): 142.12

30. Liquid phase standard combustion heat (enthalpy) (kJ ·mol-1): -4159.48

31. Liquid phase standard claims heat (enthalpy) (kJ·mol-1): -202.38

32. Liquid phase standard entropy (J·mol-1·K-1): 292.55

33. Liquid phase Standard free energy of formation (kJ·mol-1): -6.83

34. Liquid phase standard hot melt (J·mol-1·K -1)?190.99

Toxicological data

1. Acute toxicity No data available

2. Irritation No data available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradable[16] In the air, when the concentration of hydroxyl radicals is 5.00×105/cm3, the degradation half-life is 2.8d (theoretical).

4. Other harmful effects[17] This substance may be harmful to the environment , special attention should be paid to the pollution of surface water, soil, atmosphere and drinking water.

Molecular structure data

1. Molar refractive index: 29.80

2. Molar volume (cm3/mol): 127.9

3. Isotonic specific volume (90.2K ): 268.2

4. Surface tension (dyne/cm): 19.3

5. Polarizability (10-24cm3): 11.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 19.2

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

1. Stability[18] Stability

2. Incompatible substances[19] Strong oxidants, strong acids, strong bases, halogens

3. Polymerization hazard[20] No polymerization

Storage method

Storage Precautions[21] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37?. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Used in organic synthesis and as solvent. [22]

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