Isobornanamine Methyl(2,3,3-trimethyltrinorbornan-2-yl)amine
Structural formula
| Business number | 01BE |
|---|---|
| Molecular formula | C25H41N |
| Molecular weight | 355.60 |
| label |
None |
Numbering system
CAS number:60-40-2
MDL number:None
EINECS number:200-476-1
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: crystalline.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 245.5~246.5℃ (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): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined Determined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17 . Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Solubility (g/ 100ml): 21.2 in water, 8.2 in ethanol, 10.4 in glycerol, and 2.1 in isopropyl alcohol. The pH of 1% aqueous solution is 6.0 to 7.5.
Toxicological data
1. Acute toxicity: Mouse oral LD50: 90mg/kg; Mouse intraperitoneal LD50: 40mg/kg; Mouse subcutaneous LD50: 37500ug/kg; Mouse intravenous LD50: 11900ug/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 105.23
2. Molar volume (cm3/mol): 300.9
3. Isotonic specific volume (90.2K ): 789.1
4. Surface tension (dyne/cm): 47.2
5. Polarizability (10-24cm3): 41.71
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 12
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 197
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 3
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 yet
Storage method
This product should be kept sealed.
Synthesis method
It is produced by reduction of camphene and sodium thiocyanate.
Purpose
For biochemical research. Antihypertensive drugs.
The hydrochloride is a white odorless or almost odorless crystalline powder, slightly bitter, soluble in water and ethanol, easily soluble in chloroform, and insoluble in ether. This product is a ganglion blocking drug. It is clinically used for hypertensive crisis, hypertensive encephalopathy or severe hypertension in which other antihypertensive drugs are ineffective, especially for those with acute heart failure and pulmonary heart swelling. It can also be used as a controlled blood pressure lowering during anesthesia. The preparation is a tablet.