Name: JTE 907
SKU: 282089-49-0

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Basic Information

Molecular Structure:
CAS No.:	282089-49-0
Name:	JTE 907
Article Data:	2

Formula:	C₂₄H₂₆N₂O₆
Molecular Weight:	438.48
Synonyms:	N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-(pentyloxy)-1,2-dihydroquinoline-3-carboxamide;3-Quinolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydro-7-methoxy-2-oxo-8-(pentyloxy)-;3-quinolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-7-methoxy-8-(pentyloxy)-;N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-7-methoxy-8-(pentyloxy)quinoline-3-carboxamide;N-(1,3-Benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-(pentyloxy)-1,2-dihydroquinoline-3-carboxamide;
Density:	1.267 g/cm³
Boiling Point:	704.223 °C at 760 mmHg
Flash Point:	379.701 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	98.88000
LogP:	4.15530

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Specification

The 3-Quinolinecarboxamide,N-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydro-7-methoxy-2-oxo-8-(pentyloxy)-, with the CAS registry number 282089-49-0, has the systematic name of N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-(pentyloxy)-1,2-dihydroquinoline-3-carboxamide. And the molecular formula of this chemical is C₂₄H₂₆N₂O₆.

The physical properties of 3-Quinolinecarboxamide,N-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydro-7-methoxy-2-oxo-8-(pentyloxy)- are as followings: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 871; (6)ACD/BCF (pH 7.4): 860; (7)ACD/KOC (pH 5.5): 4427; (8)ACD/KOC (pH 7.4): 4371; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 95.12 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 116.843 cm³; (15)Molar Volume: 346.056 cm³; (16)Polarizability: 46.32×10^-24cm³; (17)Surface Tension: 50.49 dyne/cm; (18)Density: 1.267 g/cm³; (19)Flash Point: 379.701 °C; (20)Enthalpy of Vaporization: 103.046 kJ/mol; (21)Boiling Point: 704.223 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1Nc4c(\C=C\1C(=O)NCc2ccc3OCOc3c2)ccc(OC)c4OCCCCC
(2)InChI: InChI=1/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
(3)InChIKey: GRAJFFFXJYFVOC-UHFFFAOYAI