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106742-36-3

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Basic Information
CAS No.: 106742-36-3
Name: 1-{10-[3-(piperidin-1-yl)propyl]-10H-phenoxazin-2-yl}ethanone
Molecular Structure:
Molecular Structure of 106742-36-3 (1-{10-[3-(piperidin-1-yl)propyl]-10H-phenoxazin-2-yl}ethanone)
Formula: C22H26 N2 O2
Molecular Weight: 350.461
Synonyms: Ketone,methyl 10-(3-piperidinopropyl)phenoxazin-2-yl (7CI)
Density: 1.14g/cm3
Boiling Point: 517.8°C at 760 mmHg
Flash Point: 266.9°C
Safety: Moderately toxic by subcutaneous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
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Chemistry

The Molecular Structure of Methyl 10-(3-piperidinopropyl)phenoxazin-2-yl ketone (CAS NO.106742-36-3):
Molecular Formula: C22H26N2O2
Molecular Weight: 350.454040 g/mol
IUPAC: 1-[10-(3-piperidin-1-ylpropyl)phenoxazin-2-yl]ethanone
ACD/LogP: 4.31 
ACD/LogD (pH 5.5): 1.26
ACD/LogD (pH 7.4): 2.2
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 8.61
ACD/KOC (pH 5.5): 4.67
ACD/KOC (pH 7.4): 40.74 
Polar Surface Area: 32.78Å2
Index of Refraction: 1.584
Molar Refractivity: 102.98 cm3
Molar Volume: 307.3 cm3
Surface Tension: 44.1 dyne/cm
Density: 1.14 g/cm3
Flash Point: 266.9 °C
Enthalpy of Vaporization: 79.02 kJ/mol
Boiling Point: 517.8 °C at 760 mmHg
Vapour Pressure: 7.96E-11 mmHg at 25°C

Toxicity Data With Reference

1.    

scu-mus LD50:820 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 149 (1964),374.

Safety Profile

Moderately toxic by subcutaneous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 Methyl 10-(3-piperidinopropyl)phenoxazin-2-yl ketone (CAS NO.106742-36-3) is also called as BRN 0843816 ; Ketone, methyl 10-(3-piperidinopropyl)phenoxazin-2-yl .