CAS No.161491-24-3,1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	161491-24-3
Name:	1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate

Formula:	C₁₂H₁₉NO₅
Molecular Weight:	257.287
Synonyms:	1-tert-Butyl3-methyl 4-oxopiperidine-1,3-dicarboxylate;4-Oxopiperidine-1,3-dicarboxylicacid 1-tert-butyl ester 3-methyl ester;Methyl1-tert-butoxycarbonyl-4-oxo-3-piperidinecarboxylate;1,3-piperidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 3-methyl ester;
Density:	1.175 g/cm³
Melting Point:	32-34 °C
Boiling Point:	350 °C at 760 mmHg
Flash Point:	165.5 °C
PSA:	72.91000
LogP:	0.92340

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Specification

The IUPAC name of this chemical is 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate. With the CAS registry number 84315-23-1, it is also named as 1,3-Piperidinedicarboxylicacid,4-oxo-,1-(1,1-dimethylethyl) 3-methyl ester. In addition, the formula is C₁₂H₁₉NO₅ and the molecular weight is 257.28296. What's more, it belongs to the classes of Pharmacetical.

Physical properties about 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1.56; (6)ACD/BCF (pH 7.4): 1.56; (7)ACD/KOC (pH 5.5): 47.81; (8)ACD/KOC (pH 7.4): 47.8; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 62.52 cm³; (15)Molar Volume: 218.8 cm³; (16)Polarizability: 24.78 ×10^-24cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 165.5 °C; (20)Enthalpy of Vaporization: 59.46 kJ/mol; (21)Boiling Point: 350 °C at 760 mmHg; (22)Vapour Pressure: 4.52E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1CCC(=O)C(C(=O)OC)C1
(2)InChI: InChI=1/C12H19NO5/c1-12(2,3)18-11(16)13-6-5-9(14)8(7-13)10(15)17-4/h8H,5-7H2,1-4H3
(3)InChIKey: HBWUTYLVFYVXML-UHFFFAOYAW