1-[(6,7-Dichloroquinolin-4-yl)amino]-3-diethylamino-propan-2-ol supplier

Name
1-[(6,7-dichloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol
EINECS
CAS No. 5423-78-9
Density 1.294 g/cm³
Solubility
Melting Point
Formula C₂₈H₂₈N₄O₄
Boiling Point 522.2°C at 760 mmHg
Molecular Weight 342.2634
Flash Point 269.6°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[[4-[(2-cyanophenyl)methoxy]-3-ethoxy-phenyl]methylideneamino]-N-(2-methylphenyl)butanediamide;
PSA
LogP

1-[(6,7-Dichloroquinolin-4-yl)amino]-3-diethylamino-propan-2-ol Specification

The 1-[(6,7-Dichloroquinolin-4-yl)amino]-3-diethylamino-propan-2-ol, with the CAS registry number 5423-78-9, has the molecular formula C₂₈H₂₈N₄O₄. Besides, its molecular weight is 484.5463. Its systematic name is called 4-[2-({4-[(2-cyanobenzyl)oxy]-3-ethoxyphenyl}methylidene)hydrazino]-N-(2-methylphenyl)-4-oxobutanamide.

Physical properties of 1-[(6,7-Dichloroquinolin-4-yl)amino]-3-diethylamino-propan-2-ol: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6889.64; (6)ACD/BCF (pH 7.4): 6889.9; (7)ACD/KOC (pH 5.5): 19452.13; (8)ACD/KOC (pH 7.4): 19452.86; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 139.13 cm³; (14)Molar Volume: 413.9 cm³; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.17 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1C)CCC(=O)NN=Cc3cc(OCC)c(OCc2ccccc2C#N)cc3
(2)InChI: InChI=1/C28H28N4O4/c1-3-35-26-16-21(12-13-25(26)36-19-23-10-6-5-9-22(23)17-29)18-30-32-28(34)15-14-27(33)31-24-11-7-4-8-20(24)2/h4-13,16,18H,3,14-15,19H2,1-2H3,(H,31,33)(H,32,34)
(3)InChIKey: CBEPREIAQKRUJP-UHFFFAOYAX

Product Name

1-[(6,7-dichloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol

1-[(6,7-Dichloroquinolin-4-yl)amino]-3-diethylamino-propan-2-ol Specification

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