CAS No.162504-75-8,METHYL N-BOC-4-PIPERIDINEPROPIONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	162504-75-8
Name:	METHYL N-BOC-4-PIPERIDINEPROPIONATE
Article Data:	7

Formula:	C₁₄H₂₅NO₄
Molecular Weight:	271.357
Synonyms:	3-(N-Boc-piperidin-4-yl)propionicacid methyl ester;Methyl 3-(1-tert-butoxylcarbonyl-4-piperidyl)propanoate;tert-Butyl 4-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate;1-Boc-4-piperidinylpropionic acid methyl ester;
Density:	1.048 g/cm³
Boiling Point:	339.2 °C at 760 mmHg
Flash Point:	158.9 °C
PSA:	55.84000
LogP:	2.52460

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Specification

The Methyl N-Boc-4-piperidinepropionate, with the CAS registry number 162504-75-8, is also known as N-Boc-4-Piperidinylpropionic acid methyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₄H₂₅NO₄ and molecular weight is 271.35. What's more, both its IUPAC name and systematic name are the same which is called tert-Butyl 4-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate.

Physical properties about Methyl N-Boc-4-piperidinepropionate are: (1) ACD/LogP: 1.97; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.97; (4) ACD/LogD (pH 7.4): 1.97; (5) ACD/BCF (pH 5.5): 18.58; (6) ACD/BCF (pH 7.4): 18.58; (7) ACD/KOC (pH 5.5): 281.81; (8) ACD/KOC (pH 7.4): 281.81; (9) #H bond acceptors: 5; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 55.84 Å²; (13) Index of Refraction: 1.467; (14) Molar Refractivity: 71.8 cm³; (15) Molar Volume: 258.7 cm³; (16) Surface Tension: 35.7 dyne/cm; (17) Density: 1.048 g/cm³; (18) Flash Point: 158.9 °C; (19) Enthalpy of Vaporization: 58.26 kJ/mol; (20) Boiling Point: 339.2 °C at 760 mmHg; (21) Vapour Pressure: 9.35E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N1CCC(CC1)CCC(=O)OC
(2) InChI:InChI=1/C14H25NO4/c1-14(2,3)19-13(17)15-9-7-11(8-10-15)5-6-12(16)18-4/h11H,5-10H2,1-4H3
(3) InChIKey: RWDYQFGCHAJYOJ-UHFFFAOYAZ