Molecular Structure of N,N-Diisopropylisonicotinamide (CAS NO.77924-05-1):
IUPAC Name: N,N-Di(propan-2-yl)pyridine-4-carboxamide
Molecular Formula: C12H18N2O
Molecular Weight: 206.29
CAS Registry Number: 77924-05-1
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Index of Refraction: 1.509
Molar Refractivity: 61.17 cm3
Molar Volume: 204.7 cm3
Surface Tension: 37.3 dyne/cm
Density: 1.007 g/cm3
Flash Point: 152 °C
Enthalpy of Vaporization: 57.01 kJ/mol
Boiling Point: 327.8 °C at 760 mmHg
Vapour Pressure: 0.000198 mmHg at 25 °C
Canonical SMILES: CC(C)N(C(C)C)C(=O)C1=CC=NC=C1
InChI: InChI=1S/C12H18N2O/c1-9(2)14(10(3)4)12(15)11-5-7-13-8-6-11/h5-10H,1-4H3
InChIKey: HLRSGDOBQLTYNO-UHFFFAOYSA-N
N,N-Diisopropylisonicotinamide (CAS NO.77924-05-1), its Synonym is 4-Pyridinecarboxamide, N,N-bis(1-methylethyl)- .
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