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| CAS No.: | 98271-51-3 |
|---|---|
| Name: | 1-{10-[3-(piperidin-1-yl)propyl]-10H-phenothiazin-2-yl}ethanone |
| Molecular Structure: | |
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| Formula: | C22H26N2OS |
| Molecular Weight: | 366.527 |
| Density: | 1.16g/cm3 |
| Boiling Point: | 549.7°C at 760 mmHg |
| Flash Point: | 286.3°C |
| Safety: | A poison by subcutaneous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and SOx. |
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Chemistry
The Molecular Structure of Methyl 10-(3-piperidinopropyl)phenothiazin-2-yl ketone (CAS NO.98271-51-3):
Molecular Formula: C22H26N2OS
Molecular Weight: 366.519640 g/mol
IUPAC: 1-[10-(3-piperidin-1-ylpropyl)phenothiazin-2-yl]ethanone
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.36
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 5.5): 6.83
ACD/BCF (pH 7.4): 63.1
ACD/KOC (pH 5.5): 18.7
ACD/KOC (pH 7.4): 172.64
Polar Surface Area: 48.85Å2
Index of Refraction: 1.61
Molar Refractivity: 109.53 cm3
Molar Volume: 315.7 cm3
Surface Tension: 46.3 dyne/cm
Density: 1.16 g/cm3
Flash Point: 286.3 °C
Enthalpy of Vaporization: 82.96 kJ/mol
Boiling Point: 549.7 °C at 760 mmHg
Vapour Pressure: 3.91E-12 mmHg at 25°C
Toxicity Data With Reference
| 1. | scu-mus LD50:82 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 149 (1964),374. |
Safety Profile
A poison by subcutaneous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and SOx.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
Methyl 10-(3-piperidinopropyl)phenothiazin-2-yl ketone (CAS NO.98271-51-3) is also called as BRN 0843949 ; Ketone, methyl 10-(3-piperidinopropyl)phenothiazin-2-yl .