Adrenalone hydrochloride Adrenalone hydrochloride
Structural formula
| Business number | 01C5 |
|---|---|
| Molecular formula | C9H12ClNO3 |
| Molecular weight | 217.65 |
| label |
epinephrine hydrochloride, 3′,4′-dihydroxy-2-methylaminoacetophenone, 3′,4′-dihydroxy-2-methylaminoacetophenone hydrochloride, 3′,4′-Dihydroxy-2-(methylamino)acetophenone hydrochloride, 1-(3,4-Dihydrocyphenyl)-2-(methylamino)ethanone hydrochloride, Kephrine hydrochloride, Stryphnonasal, Stypnone hydrochloride |
Numbering system
CAS number:62-13-5
MDL number:MFCD00035075
EINECS number:200-525-7
RTECS number:AM8225000
BRN number:3916102
PubChem number:24845247
Physical property data
1. Properties: Uncertain
2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g/mL, air =1): Uncertain
4. Melting point (ºC): 244-249 (dec.)
5. Boiling point (ºC, normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Uncertain
7. Refractive index: Uncertain
8. Flash point (ºC): Uncertain
9. Specific rotation (º): Uncertain
10. Autoignition point or ignition temperature (ºC): Uncertain
11. Vapor pressure (kPa, 25ºC ): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Log value of oil-water (octanol/water) partition coefficient: Uncertain OK
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V): Uncertain
19. Solubility: Uncertain
Toxicological data
Acute toxicity: Rat subcutaneous injection LDLo: 80 mg/kg; mouse intraperitoneal LD50: 902 mg/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 48.27
2. Molar volume (cm3/mol): 143.1
3. Isotonic specific volume (90.2K): 390.2
4. Surface tension (dyne/cm): 55.2
5. Polarizability (10-24cm3): 19.13
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 47
6. Topological molecule polar surface area 69.6
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 184
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: 2
Properties and stability
None yet
Storage method
The argon-filled product should be sealed, dry and protected from light.
Synthesis method
None yet
Purpose
1.Biochemical research
