CAS No.373604-28-5,1-PIPERIDINECARBOXYLIC ACID, 3-FLUORO-4-HYDROXY-, 1,1-DIMETHYLETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	373604-28-5
Name:	1-PIPERIDINECARBOXYLIC ACID, 3-FLUORO-4-HYDROXY-, 1,1-DIMETHYLETHYL ESTER
Article Data:	8

Formula:	C₁₀H₁₈FNO₃
Molecular Weight:	219.256
Synonyms:	tert-Butyl3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-Butyl 3-fluoro-4-hydroxypiperidinecarboxylate;
Density:	1.156 g/cm³
Boiling Point:	300.795 °C at 760 mmHg
Flash Point:	135.717 °C
PSA:	49.77000
LogP:	1.26410

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Specification

The 1-Piperidinecarboxylicacid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, with the CAS registry number 373604-28-5, is also known as tert-Butyl 3-fluoro-4-hydroxypiperidinecarboxylate. This chemical's molecular formula is C₁₀H₁₈FNO₃ and molecular weight is 219.25. What's more, its systematic name is tert-butyl 3-fluoro-4-hydroxy-piperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.311; (4)ACD/LogD (pH 7.4): 1.311; (5)ACD/BCF (pH 5.5): 5.844; (6)ACD/BCF (pH 7.4): 5.844; (7)ACD/KOC (pH 5.5): 123.144; (8)ACD/KOC (pH 7.4): 123.144; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.77 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 53.656 cm³; (15)Molar Volume: 189.603 cm³; (16)Polarizability: 21.271×10^-24 cm³; (17)Surface Tension: 38.134 dyne/cm; (18)Density: 1.156 g/cm³; (19)Flash Point: 135.717 °C; (20)Enthalpy of Vaporization: 62.739 kJ/mol; (21)Boiling Point: 300.795 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)F)O
(2)InChI: InChI=1/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3
(3)InChIKey: XRNLYXKYODGLMI-UHFFFAOYAI