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CAS No.: | 51784-73-7 |
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Name: | 2-(4-PIPERIDINYL)-1,3-BENZOTHIAZOLE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C12H14N2S |
Molecular Weight: | 218.323 |
Synonyms: | 4-(Benzothiazol-2-yl)piperidine; |
Density: | 1.19 g/cm3 |
Boiling Point: | 361.516 °C at 760 mmHg |
Flash Point: | 172.439 °C |
Hazard Symbols: | Xi |
PSA: | 53.16000 |
LogP: | 3.09210 |
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The CAS registry number of Benzothiazole,2-(4-piperidinyl)- is 51784-73-7. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C12H14N2S and molecular weight is 218.32. What's more, its IUPAC name is called 2-Piperidin-4-yl-1,3-benzothiazole. This chemical is irritanting and may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzothiazole,2-(4-piperidinyl)- are: (1)ACD/LogP: 2.06; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.064; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 53.16 Å2; (11)Index of Refraction: 1.629 ; (12) Molar Refractivity: 65.169 cm3; (13)Molar Volume: 183.49 cm3; (14)Polarizability: 25.835×10-24 cm3; (15)Surface Tension: 49.845 dyne/cm; (16)Density: 1.19 g/cm3; (17)Flash Point: 172.439 °C; (18)Enthalpy of Vaporization: 60.735 kJ/mol; (19)Boiling Point: 361.516 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)nc(s2)C3CCNCC3
(2) InChI: InChI=1/C12H14N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
(3) InChIKey: CYASANLJWAJEPW-UHFFFAOYAA