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CAS No.: | 376371-15-2 |
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Name: | 2-CHLORO-1-(6-METHOXY-2,2,4-TRIMETHYL-3,4-DIHYDRO-2H-QUINOLIN-1-YL)-ETHANONE |
Molecular Structure: | |
Formula: | C15H20ClNO2 |
Molecular Weight: | 281.7778 |
Synonyms: | Quinoline,1-(chloroacetyl)-1,2,3,4-tetrahydro-6-methoxy-2,2,4-trimethyl- (9CI);2-chloro-1-[(4S)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethanone; |
Density: | 1.116 g/cm3 |
Boiling Point: | 430.2 °C at 760 mmHg |
Flash Point: | 214 °C |
Hazard Symbols: | Xi |
PSA: | 29.54000 |
LogP: | 3.61780 |
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The Ethanone,2-chloro-1-(3,4-dihydro-6-methoxy-2,2,4-trimethyl-1(2H)-quinolinyl)-, with the CAS registry number 376371-15-2, has the systematic name of 2-chloro-1-[(4S)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethanone. And the molecular formula of the chemical is C15H20ClNO2.
The characteristics of Ethanone,2-chloro-1-(3,4-dihydro-6-methoxy-2,2,4-trimethyl-1(2H)-quinolinyl)- are as followings: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.52; (8)Molar Refractivity: 76.75 cm3; (9)Molar Volume: 252.3 cm3; (10)Polarizability: 30.42×10-24cm3; (11)Surface Tension: 35.5 dyne/cm; (12)Density: 1.116 g/cm3; (13)Flash Point: 214 °C; (14)Enthalpy of Vaporization: 68.57 kJ/mol; (15)Boiling Point: 430.2 °C at 760 mmHg; (16)Vapour Pressure: 1.32E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCC(=O)N2c1ccc(OC)cc1[C@H](CC2(C)C)C
(2)InChI: InChI=1/C15H20ClNO2/c1-10-8-15(2,3)17(14(18)9-16)13-6-5-11(19-4)7-12(10)13/h5-7,10H,8-9H2,1-4H3/t10-/m0/s1
(3)InChIKey: URNUWVIPNDXJGL-JTQLQIEIBG