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CAS No.: | 32511-84-5 |
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Name: | 1-butyl-4-methyl-2(1H)quinoline |
Molecular Structure: | |
Formula: | C14H17NO |
Molecular Weight: | 215.29 |
Synonyms: | Carbostyril,1-butyl-4-methyl- (8CI);1-Butyl-4-methylcarbostyril;NSC 109799; |
Density: | 1.046 g/cm3 |
Boiling Point: | 310.7 °C at 760 mmHg |
Flash Point: | 132.6 °C |
PSA: | 22.00000 |
LogP: | 3.11000 |
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This product is an organic compound with the formula C14H17NO. The systematic name of this chemical is 1-butyl-4-methylquinolin-2(1H)-one. With the CAS registry number 32511-84-5, it is also named as 2(1H)-quinolinone, 1-butyl-4-methyl-. In addition, the molecular weight is 215.29.
The other characteristics of 1-Butyl-4-methylquinolin-2(1H)-one can be summarized as: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 65.02 cm3; (9)Molar Volume: 205.6 cm3; (10)Polarizability: 25.77×10-24 cm3; (11)Surface Tension: 37.2 dyne/cm; (12)Density: 1.046 g/cm3; (13)Flash Point: 132.6 °C; (14)Enthalpy of Vaporization: 55.16 kJ/mol; (15)Boiling Point: 310.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000589 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C2/C=C(\c1c(cccc1)N2CCCC)C
2. InChI:InChI=1/C14H17NO/c1-3-4-9-15-13-8-6-5-7-12(13)11(2)10-14(15)16/h5-8,10H,3-4,9H2,1-2H3
3. InChIKey:BDQRFECVDXBVMM-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C14H17NO/c1-3-4-9-15-13-8-6-5-7-12(13)11(2)10-14(15)16/h5-8,10H,3-4,9H2,1-2H3
5. Std. InChIKey:BDQRFECVDXBVMM-UHFFFAOYSA-N