Molecular Structure of 5-Amino-3-methylisoquinoline (CAS No.54410-17-2):
Molecular Formula: C10H10N2
Molecular Weight: 158.1998
CAS No: 54410-17-2
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 38.91 Å2
Index of Refraction: 1.682
Molar Refractivity: 51.248 cm3
Molar Volume: 135.328 cm3
Surface Tension: 55.118 dyne/cm
Density: 1.169 g/cm3
Flash Point: 182.39 °C
Enthalpy of Vaporization: 57.715 kJ/mol
Boiling Point: 334.212 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
IUPAC Name: 3-Methylisoquinolin-5-amine
Canonical SMILES: CC1=NC=C2C=CC=C(C2=C1)N
InChI: InChI=1S/C10H10N2/c1-7-5-9-8(6-12-7)3-2-4-10(9)11/h2-6H,11H2,1H3
InChIKey: ZQLKOMXEZYQQBJ-UHFFFAOYSA-N
5-Amino-3-methylisoquinoline (CAS No.54410-17-2), it also can be called 3-Methylisoquinolin-5-amine .
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