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| CAS No.: | 86-13-5 |
|---|---|
| Name: | benzatropine |
| Molecular Structure: | |
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| Formula: | C21H25 N O |
| Molecular Weight: | 307.436 |
| Synonyms: | 1aH,5aH-Tropane, 3a-(diphenylmethoxy)- (8CI); 8-Azabicyclo[3.2.1]octane,3-(diphenylmethoxy)-8-methyl-, endo-; Akitan; Benzatropine; Benztropine;Cobrentin; NK 02; Tropine benzohydryl ether |
| Density: | 1.11g/cm3 |
| Boiling Point: | 409°C at 760 mmHg |
| Flash Point: | 120.1°C |
| Safety: | Poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 12.47000 |
| LogP: | 4.35570 |
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- Total:33 Page 1 of 1 1
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Chemistry
Benzotropine with CAS register number of 86-13-5 is called for benzatropine;Benaztropine ; NISTC86135 ; Benztropine ;
CHEBI:518418 ; CID1201549 ; NCGC00159471-02 ; (1R,5S)-3-(benzhydryloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane ; (3-Endo)-3-[(diphenylmethyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane ,and so on.
IUPAC Name: (1R,5S)-3-Benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
CAS: 86-13-5
Molecular Formula: C21H25NO
Molecular Weight: 307.4293
Molecular structure:.gif)
ACD/LogD (pH 5.5): 1.87
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 5.5): 2.79
ACD/BCF (pH 7.4): 5.27
ACD/KOC (pH 5.5): 9.58
ACD/KOC (pH 7.4): 18.07
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 4
Index of Refraction: 1.604
Molar Refractivity: 94.58 cm3
Molar Volume: 274.8 cm3
Polarizability: 37.49×10-24cm3
Surface Tension: 46.4 dyne/cm
Density: 1.11 g/cm3
Flash Point: 120.1 °C
Enthalpy of Vaporization: 66.11 kJ/mol
Boiling Point: 409 °C at 760 mmHg
Vapour Pressure: 6.73E-07 mmHg at 25°C
Uses
Benzotropine (CAS No.86-13-5) is supposed to be used as chemical reagent.
Toxicity Data With Reference
| 1. | scu-mus LD50:60 mg/kg | JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. 4 (1961),215. | ||
| 2. | ivn-mus LD50:25 mg/kg | JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. 4 (1961),215. |
Safety Profile
Poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
Specification
Removal in wastewater treatment of Benzotropine (CAS No.86-13-5) can be stated as follows:
Total removal:44.19 percent
Total biodegradation:0.43 percent
Total sludge adsorption:43.76 percent
Total to Air:0.00 percent
(using 10000 hr Bio P,A,S)