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