CAS No.848133-76-6,n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	848133-76-6
Name:	n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide
Article Data:	15

Formula:	C₁₄H₁₂ClN₃O₂
Molecular Weight:	289.721
Synonyms:	4-Chloro-3-cyano-7-ethoxy-6-(N-acetylamino)quinoline;acetamide, N-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl)-;N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide;4-chloro-3-cyano-7-ethoxy-6-N-acetylquinoline;
EINECS:	1592732-453-0
Density:	1.35 g/cm³
Melting Point:	250°C(lit.)
Boiling Point:	518.6 °C at 760 mmHg
Flash Point:	267.5 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	75.01000
LogP:	3.18998

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Specification

The N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide, with the CAS registry number 848133-76-6, has the systematic name of N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₄H₁₂ClN₃O₂.

The characteristics of N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide are as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.4; (6)ACD/BCF (pH 7.4): 35.4; (7)ACD/KOC (pH 5.5): 447.05; (8)ACD/KOC (pH 7.4): 447.05; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.22 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 75.52 cm³; (15)Molar Volume: 213.6 cm³; (16)Polarizability: 29.93×10^-24cm³; (17)Surface Tension: 62.5 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 267.5 °C; (20)Enthalpy of Vaporization: 79.12 kJ/mol; (21)Boiling Point: 518.6 °C at 760 mmHg; (22)Vapour Pressure: 7.35E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1c(OCC)cc2ncc(C#N)c(Cl)c2c1)C
(2)InChI: InChI=1/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19)
(3)InChIKey: XDXGFTCQRAQEEG-UHFFFAOYAN