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5,6-Dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one

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Name

5,6-Dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one

EINECS
CAS No. 120014-30-4 Density 1.116 g/cm3
Solubility Melting Point 258-260°C (dec.)
Formula C17H23NO3 Boiling Point 454.109 °C at 760 mmHg
Molecular Weight 289.37 Flash Point 228.437 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 120014-30-4 (5,6-Dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one) Hazard Symbols
Synonyms

5,6-Dimethoxy-2-(pyridine-4-Yl)Methylene-Indan-1-one base;5,6-Dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one;5,6-Dimethoxy-2-(pyridin-4-Yl)Methyleneindan-1-one;5,6-Dimethoxy-2-(pyridin-4-yl)-Methyleneindan-1-one;4-[(5,6-Dimethoxy-1-indanone) -2-methyl] piperidine;4-[(5,6-Dimethoxy-1-indanon-2-yl) methyl] piperidine;

 

5,6-Dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one Specification

The 5,6-Dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one with CAS registry number of 120014-30-4 is also known as 4-[(5,6-Dimethoxy-1-indanon-2-yl) methyl] piperidine. The IUPAC name is 5,6-Dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one. It belongs to product categories of (Intermediate of donepezil); Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Print Catalog. In addition, the formula is C17H23NO3 and the molecular weight is 289.37. This chemical can be used as intermediates of organic synthesis and pharmaceutical synthesis. It's also can be used for synthesis of donepezil.

Physical properties about 5,6-Dimethoxy-2-(piperidin-4-yl)methylene-indan-1-one are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 81.013 cm3; (14)Molar Volume: 259.136 cm3; (15)Surface Tension: 39.601 dyne/cm; (16)Density: 1.117 g/cm3; (17)Flash Point: 228.437 °C; (18)Enthalpy of Vaporization: 71.363 kJ/mol; (19)Boiling Point: 454.109 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC
2. InChI: InChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3
3. InChIKey: PGBZORAISITZTF-UHFFFAOYSA-N

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