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88598-74-7

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Basic Information
CAS No.: 88598-74-7
Name: (-)-Mequitazine
Molecular Structure:
Molecular Structure of 88598-74-7 ((-)-Mequitazine)
Formula: C20H22N2S
Molecular Weight: 322.47
Synonyms: 10H-Phenothiazine,10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-, (S)-;(-)-Mequitazine;(S)-Mequitazine;Levomequitazine;
Density: 1.28 g/cm3
Boiling Point: 469.4 °C at 760 mmHg
Flash Point: 237.7 °C
PSA: 31.78000
LogP: 4.63400
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    (-)-MEQUITAZINEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The cas register number of (-)-Mequitazine is 88598-74-7. It also can be called as 10H-Phenothiazine,10-[(3S)-1-azabicyclo[2.2.2]oct-3-ylmethyl]- and the Systematic name about this chemical is 10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-10H-phenothiazine.

Physical properties about (-)-Mequitazine are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 5.83; (6)ACD/BCF (pH 7.4): 14.43; (7)ACD/KOC (pH 5.5): 16.25; (8)ACD/KOC (pH 7.4): 40.23; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 31.78Å2; (12)Index of Refraction: 1.707; (13)Molar Refractivity: 98.1 cm3; (14)Molar Volume: 251.8 cm3; (15)Polarizability: 38.89x10-24cm3; (16)Surface Tension: 62 dyne/cm; (17)Enthalpy of Vaporization: 73.18 kJ/mol; (18)Vapour Pressure: 5.51E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S2c1ccccc1N(c3c2cccc3)CC5C4CCN(CC4)C5
(2)InChI: InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2
(3)InchIKey: HOKDBMAJZXIPGC-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2
(5)Std. InChIKey: HOKDBMAJZXIPGC-UHFFFAOYSA-N