Molecular structure of 1-Isobutyl-7-nitro-1,2,3,4-tetrahydroquinoline (CAS NO.959235-79-1) is:
Product Name: 1-Isobutyl-7-nitro-1,2,3,4-tetrahydroquinoline
CAS Registry Number: 959235-79-1
Molecular Formula: C13H18N2O2
Molecular Weight: 234.29
Index of Refraction: 1.551
Molar Refractivity: 67.09 cm3
Molar Volume: 210.1 cm3
Surface Tension: 41.7 dyne/cm
Density: 1.114 g/cm3
Flash Point: 177.9 °C
Enthalpy of Vaporization: 61.74 kJ/mol
Boiling Point: 370.5 °C at 760 mmHg
Vapour Pressure: 1.1E-05 mmHg at 25 °C
SMILES: CC(C)CN1CCCc2c1cc(cc2)[N+](=O)[O-]
InChI: InChI=1/C13H18N2O2/c1-10(2)9-14-7-3-4-11-5-6-12(15(16)17)8-13(11)14/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKey: PPMVNPPYRKIWTP-UHFFFAOYAG
Std. InChI: InChI=1S/C13H18N2O2/c1-10(2)9-14-7-3-4-11-5-6-12(15(16)17)8-13(11)14/h5-6,8,10H,3-4,7,9H2,1-2H3
Std. InChIKey: PPMVNPPYRKIWTP-UHFFFAOYSA-N
1-Isobutyl-7-nitro-1,2,3,4-tetrahydroquinoline , its cas register number is 959235-79-1. It also can be called 1-(2-Methylpropyl)-7-nitro-1,2,3,4-tetrahydroquinoline ; Quinoline,1,2,3,4-tetrahydro-1-(2-methylpropyl)-7-nitro- .
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