Basic information
- Name:
Acetamide,N-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl)-
- Superlist Name:
- N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide
- CAS No.:
848133-76-6
- Molecular Structure:
- Formula:
- C14H12ClN3O2
- Molecular Weight:
- 289.72
- 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;
- Density:
- 1.35 g/cm3
- Boiling Point:
- 518.6 °C at 760 mmHg
- Flash Point:
- 267.5 °C
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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