Molecular Structure of 7-Chloro-3-(1-methyl-4-piperidinyl)indole (CAS NO.734518-22-0):
IUPAC Name: 7-Chloro-3-(1-methylpiperidin-4-yl)-1H-indole
Molecular Formula: C14H17ClN2
Molecular Weight: 248.75
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Index of Refraction: 1.625
Molar Refractivity: 72.94 cm3
Molar Volume: 206 cm3
Surface Tension: 47.9 dyne/cm
Density: 1.207 g/cm3
Flash Point: 197.8 °C
Enthalpy of Vaporization: 65.47 kJ/mol
Boiling Point: 403.4 °C at 760 mmHg
Vapour Pressure: 1.02E-06 mmHg at 25 °C
Product Categories: pharmacetical
Canonical SMILES: CN1CCC(CC1)C2=CNC3=C2C=CC=C3Cl
InChI: InChI=1S/C14H17ClN2/c1-17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15/h2-4,9-10,16H,5-8H2,1H3
InChIKey: GNDBYBYQRLQOHJ-UHFFFAOYSA-N
7-Chloro-3-(1-methyl-4-piperidinyl)indole (CAS NO.734518-22-0), its Synonym is 1H-Indole,7-chloro-3-(1-methyl-4-piperidinyl)- .
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