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14051-46-8

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Basic Information
CAS No.: 14051-46-8
Name: desmethylcyproheptadine
Article Data: 8
Molecular Structure:
Molecular Structure of 14051-46-8 (desmethylcyproheptadine)
Formula: C20H19 N
Molecular Weight: 273.378
Synonyms: 4-(5-Dibenzo[a,d]cycloheptenylidene)piperidine;4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)piperidine; Demethylcyproheptadine;Desmethylcyproheptadine; N-Desmethylcyproheptadine; Norcyproheptadine
Density: 1.127g/cm3
Boiling Point: 432.6°C at 760 mmHg
Flash Point: 230.6°C
Hazard Symbols: A reproductive hazard.
Safety: Experimental reproductive effects reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 12.03000
LogP: 4.68450
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Chemistry

Molecule structure of Desmethylcyproheptadine (CAS NO.14051-46-8):

Molecular Weight: 273.37156 g/mol
Molecular Formula: C20H19N 
Density: 1.127 g/cm3 
Boiling Point: 432.6 °C at 760 mmHg 
Flash Point: 230.6 °C
Index of Refraction: 1.633
Molar Refractivity: 86.66 cm3
Molar Volume: 242.5 cm3
Polarizability: 34.35×10-24 cm3
Surface Tension: 45.9 dyne/cm 
Enthalpy of Vaporization: 68.85 kJ/mol
Vapour Pressure: 1.09E-07 mmHg at 25 °C
XLogP3: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Exact Mass: 273.15175
MonoIsotopic Mass: 273.15175
Topological Polar Surface Area: 12
Heavy Atom Count: 21
Complexity: 397 
Canonical SMILES: C1CNCCC1=C2C3=CC=CC=C3C=CC4=CC=CC=C42
InChI: InChI=1S/C20H19N/c1-3-7-18-15(5-1)9-10-16-6-2-4-8-19(16)20(18)17-11-13-21-14-12-17/h1-10,21H,11-14H2
InChIKey of Desmethylcyproheptadine (CAS NO.14051-46-8): INPJSDMJYRCDGA-UHFFFAOYSA-N

Safety Profile

Experimental reproductive effects reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Desmethylcyproheptadine (CAS NO.14051-46-8) is also named as Piperidine, 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)- .