The Molecular Structure of 1-Benzyl-3-methylaminopiperidine (CAS NO.60717-45-5) is
Cas Register Number: 60717-45-5
Synonyms: 1-Benzyl-3-methylaminopiperidine ; N-Methyl-1-(phenylmethyl)-3-piperidinamine
Systematic Name: 1-Benzyl-N-methylpiperidin-3-amine
Molecular Formula: C13H20N2
Molecular Weight: 204.31g/mol
Boiling point: 292 ºC
Flashing point: 110 ºC
ACD/LogP: 1.70
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
SMILES: CNC2CCCN(Cc1ccccc1)C2
InChI: InChI=1/C13H20N2/c1-14-13-8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKey: XYFAEHZVQWTOPH-UHFFFAOYAV
Std. InChI: InChI=1S/C13H20N2/c1-14-13-8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
Std. InChIKey: XYFAEHZVQWTOPH-UHFFFAOYSA-N
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 15.27 Å2
Index of Refraction: 1.555
Molar Refractivity: 64.63 cm3
Molar Volume: 201.2 cm3
Polarizability: 25.62 10-24cm3
Surface Tension: 40.3 dyne/cm
Density: 1.01 g/cm3
Flash Point: 110.2 °C
Enthalpy of Vaporization: 53.19 kJ/mol
Boiling Point: 292.4 °C at 760 mmHg
Vapour Pressure of 1-Benzyl-3-methylaminopiperidine (CAS NO.60717-45-5): 0.00184 mmHg at 25°
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