CAS No.120013-39-0,5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120013-39-0
Name:	5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride

Formula:	C₁₇H₂₃NO₃. ClH
Molecular Weight:	325.83
Synonyms:	1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-, hydrochloride (9CI);4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine hydrochloride;2,3-dihydro-5,6-dimethoxyl-2-((piperidin-4-yl)methyl)inden-1-one HCL;
EINECS:	1312995-182-4
Melting Point:	249-250 °C
Boiling Point:	479.4 °C at 760 mmHg
Flash Point:	243.7 °C
Safety:	24/25
PSA:	47.56000
LogP:	3.57930

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Specification

The 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride , with cas registry number of 120013-39-0, is used as a pharmaceutical intermediate . It is also called 2,3-Dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-1H-inden-1-one hydrochloride . Its systematic name is also called 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one hydrochloride .

Physical properties about this chemical include: (1) ACD/LogP: 2.89 ; (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): 1 ; (7) #H bond acceptors: 4 ; (8) #H bond donors: 1 ; (9) #Freely Rotating Bonds: 4 ; (10) Flash Point: 243.7 °C ; (11) Enthalpy of Vaporization: 75.78 kJ/mol ; (12) Boiling Point: 479.4 °C at 760 mmHg ; (13) Vapour Pressure: 1.39E-09 mmHg at 25°C ; (14) Melting Point: 249-250°C ; (15) Polar Surface Area: 47.56 Å².

You can still convert the following datas into molecular structure:
(1) SMILES:Cl.COc1cc2C(=O)C(Cc2cc1OC)CC3CCNCC3;
(2) InChI:InChI=1/C17H23NO3.ClH/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;1H;
(3) InChIKey:WOZXDQQCMZIQEG-UHFFFAOYAR