The Ethyl 4-Methylpiperidine-4-carboxylate Hydrochloride, with the CAS registry number 225240-71-1, molecular formula is C9H17NO2.HCl and molecular weight is 207.7. What's more, its systematic name is Ethyl 4-methylpiperidine-4-carboxylate hydrochloride.
Physical properties about this chemical are: (1) ACD/LogP: 1.45; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 3; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 38.33 Å2(11) Flash Point: 111 °C; (12) Enthalpy of Vaporization: 50.76 kJ/mol; (13) Boiling Point: 259.9 °C at 760 mmHg; (14) Vapour Pressure: 0.00991 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OCC)C1(C)CCNCC1
(2) InChI: InChI=1/C9H17NO2.ClH/c1-3-12-8(11)9(2)4-6-10-7-5-9;/h10H,3-7H2,1-2H3;1H
(3) InChIKey: ZRVPAABDZYFQFB-UHFFFAOYAX
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