carbamoyl

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:69-81-8

MDL number:MFCD00059705

EINECS number:200-717-0

RTECS number:NM1925500

BRN number:None

PubChem number:24891027

Physical property data

1. Properties: orange-red crystals or crystalline powder.

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

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

4. Melting point (ºC): 220℃ (decomposition)

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

6. Boiling point (ºC, 5.2kPa ): 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, 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. 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: Slightly soluble in water and ethanol , insoluble in ether and chloroform. Its salicylic acid sodium salt ([1305-01-9]) is an orange-red powder with a melting point of 196-197.5°C (decomposition). Its solubility in water is 0.61 mg/ml at 25°C. It is insoluble in ether, chloroform, and 10% aqueous solution. The pH value is 6.7-7.3.

Toxicological data

Acute toxicity: Rat oral LD50: >17280 ug/kg; Rat intraperitoneal LD50: 1276 mg/kg; Rat subcutaneous injection LD50: >12500 mg/kg; Mouse oral LD50: >35832 mg/kg; Mouse intraperitoneal LD50: 2413 mg/kg; Mouse subcutaneous injection LD50: >10 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 57.88

2. Molar volume (cm³/mol): 144.5

3. Isotonic specific volume (90.2K): 421.1

4. Surface tension (dyne/cm): 71.9

5. Polarizability (10-24cm3): 22.94

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -1.6

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

p>

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 7

6. Topological molecular polar surface area (TPSA): 108

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 478

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the chemical bond structure Number of stereocenters: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

Seal and store in a dry place below 0℃.

Synthesis method

Adrenaline hydrochloride is obtained by oxidation, cyclization and condensation.

Purpose

Hemostatic drugs. Used for persistent purpura, hereditary telangiectasia and prevention of bleeding in the lungs, kidneys, intestines, brain and uterus.

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