Ethyl N-Boc-4-methylpiperidine-4-carboxylate

The Ethyl N-Boc-4-methylpiperidine-4-carboxylate, with the CAS registry number of 189442-87-3, is also known as 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-ethyl ester. It belongs to the product categories of Amino Acids and Derivatives; Heterocycles; API intermediates; Building Blocks; Heterocyclic Building Blocks; Piperidines. This chemical's molecular formula is C₁₄H₂₅NO₄ and molecular weight is 271.35. What's more, its systematic name is 1-tert-Butyl 4-ethyl 4-methylpiperidine-1,4-dicarboxylate.

Physical properties about the Ethyl N-Boc-4-methylpiperidine-4-carboxylate are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.63; (6)ACD/BCF (pH 7.4): 53.63; (7)ACD/KOC (pH 5.5): 601.86; (8)ACD/KOC (pH 7.4): 601.86; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 71.63 cm³; (15)Molar Volume: 257.2 cm³; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 1.054 g/cm³; (18)Flash Point: 153.2 °C; (19)Enthalpy of Vaporization: 57.22 kJ/mol; (20)Boiling Point: 329.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000175 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection. Besides, it may cause cancer.

You can still convert the following datas into molecular structure:
(1) SMILES:CCOC(=O)C1(C)CCN(CC1)C(=O)OC(C)(C)C
(2) InChI:InChI=1/C14H25NO4/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3
(3) InChIKey:ZQZVWDXMUCTNRI-UHFFFAOYAZ