Empirical Formula: C13H18N2O2
Molecular Weight: 234.2942g/mol
Structure of 4-Piperazin-1-ylmethyl-benzoic acid methyl ester (CAS NO.86620-81-7):
Index of Refraction: 1.544
Molar Refractivity: 66.3 cm3
Molar Volume: 209.7 cm3
Polarizability: 26.28×10-24cm3
Surface Tension: 41.6 dyne/cm
Density: 1.117 g/cm3
Flash Point: 168.9 °C
Enthalpy of Vaporization: 60.08 kJ/mol
Boiling Point: 355.6 °C at 760 mmHg
Vapour Pressure: 3.08E-05 mmHg at 25°C
Product Categories: API intermediates
Systematic Name: methyl 4-(piperazin-1-ylmethyl)benzoate
SMILES: O=C(OC)c1ccc(cc1)CN2CCNCC2
InChI: InChI=1/C13H18N2O2/c1-17-13(16)12-4-2-11(3-5-12)10-15-8-6-14-7-9-15/h2-5,14H,6-10H2,1H3
InChIKey: XJIVYTXCTMWGLR-UHFFFAOYAV
4-Piperazin-1-ylmethyl-benzoic acid methyl ester , its cas register number is 86620-81-7. It also can be called Benzoic acid, 4-(1-piperazinylmethyl)-, methyl ester ; Methyl 4-(piperazin-1-ylmethyl)benzoate ; 4-(1-Piperaziyl methyl) benzoic acid methyl ester .
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