carbamoyl
Structural formula
| Business number | 01FU |
|---|---|
| Molecular formula | C10H12N4O3 |
| Molecular weight | 236.23 |
| label |
Anluoxue, adrenochrome semicarbazone, carrosalonate, Kabaklo, Racemic-1-methyl-hydroxy-5,6-ketomethylhydroindole monosemicarbazone, adrenocarbazone |
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
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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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