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109768-67-4

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Basic Information
CAS No.: 109768-67-4
Name: (4H-Benzo[d][1,3]thiazin-2-yl)-p-tolyl-amine
Article Data: 3
Molecular Structure:
Molecular Structure of 109768-67-4 ((4H-Benzo[d][1,3]thiazin-2-yl)-p-tolyl-amine)
Formula: C17H36N2O2
Molecular Weight: 254.356
Synonyms: 4H-3,1-Benzothiazin-2-amine,N-(4-methylphenyl)-;N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine;
Density: 1.2 g/cm3
Boiling Point: 422.5 °C at 760 mmHg
Flash Point: 209.3 °C
PSA: 49.69000
LogP: 3.85000
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Specification

The (4H-Benzo[d][1,3]thiazin-2-yl)-p-tolyl-amine, with the CAS registry number 109768-67-4, is also known as 4H-3,1-Benzothiazin-2-amine,N-(4-methylphenyl)-. This chemical's molecular formula is C17H36N2O2 and molecular weight is 254.35. What's more, its systematic name is N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine.

Physical properties of (4H-Benzo[d][1,3]thiazin-2-yl)-p-tolyl-amine are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 127.43; (6)ACD/BCF (pH 7.4): 169.83; (7)ACD/KOC (pH 5.5): 1029.38; (8)ACD/KOC (pH 7.4): 1371.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.9 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 77.76 cm3; (15)Molar Volume: 211.6 cm3; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.2 g/cm3; (18)Flash Point: 209.3 °C; (19)Enthalpy of Vaporization: 67.67 kJ/mol; (20)Boiling Point: 422.5 °C at 760 mmHg; (21)Vapour Pressure: 2.4E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\SCc2ccccc/12)Nc3ccc(cc3)C
(2)InChI: InChI=1S/C15H14N2S/c1-11-6-8-13(9-7-11)16-15-17-14-5-3-2-4-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17)
(3)InChIKey: WAIDGCCWBIIWOI-UHFFFAOYSA-N