Product Name

  • Name

    benzatropine

  • EINECS
  • CAS No. 86-13-5
  • Article Data2
  • CAS DataBase
  • Density 1.11g/cm3
  • Solubility
  • Melting Point
  • Formula C21H25 N O
  • Boiling Point 409°C at 760 mmHg
  • Molecular Weight 307.436
  • Flash Point 120.1°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 86-13-5 (benzatropine)
  • Hazard Symbols
  • 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
  • PSA 12.47000
  • LogP 4.35570

Benzotropine Chemical Properties

 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:
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

Benzotropine Uses

 Benzotropine (CAS No.86-13-5) is supposed to be used as chemical reagent.

Benzotropine 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.

Benzotropine Safety Profile

Poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.

Benzotropine 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)

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