CAS No.168960-95-0,9S-Amino-9-deoxyquinine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	168960-95-0
Name:	9S-Amino-9-deoxyquinine
Article Data:	2

Formula:	C₂₀H₂₅N₃O
Molecular Weight:	323.438
Synonyms:	(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanamine;
Density:	1.187 g/cm³
Boiling Point:	484.846 °C at 760 mmHg
Flash Point:	247.026 °C
PSA:	51.38000
LogP:	3.77780

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Specification

This chemical is called 9S-Amino-9-deoxyquinine, and it can also be named as (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanamine.The molecular formula of this chemical is C₂₀H₂₅N₃O. The CAS registry number of this chemical is 168960-95-0.

Other characteristics of the 9S-Amino-9-deoxyquinine can be summarised as follows: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.608; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.619; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 51.38 Å²; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 97.878 cm³; (14)Molar Volume: 272.585 cm³; (15)Polarizability: 38.802×10^-24cm³; (16)Surface Tension: 54.747 dyne/cm; (17)Density: 1.187 g/cm³; (18)Flash Point: 247.026 °C; (19)Enthalpy of Vaporization: 75.023 kJ/mol; (20)Boiling Point: 484.846 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)N
2.InChI: InChI=1/C20H25N3O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20H,1,7,9-10,12,21H2,2H3
3.InChIKey: RIEKOKLABHBCGI-UHFFFAOYAK