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1-Boc-4-fluoro-4-piperidinecarboxylic acid

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Name

1-Boc-4-fluoro-4-piperidinecarboxylic acid

EINECS N/A
CAS No. 614731-04-3 Density 1.223 g/cm3
PSA 66.84000 LogP 1.74810
Solubility N/A Melting Point N/A
Formula C11H18FNO4 Boiling Point 346.275 °C at 760 mmHg
Molecular Weight 247.26 Flash Point 163.221 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 614731-04-3 (1-Boc-4-fluoro-4-piperidinecarboxylic acid) Hazard Symbols N/A
Synonyms

1-BOC-4-FLUORO-4-PIPERIDINECARBOXYLIC ACID;1-(tert-butoxycarbonyl)-4-fluoropiperidine-4-carboxylic acid;1-Boc-4-fluoropiperidine-4-carboxylic acid;1-Boc-4-fluoropiperidine-...;1,4-Piperidinedicarboxylic acid, 4-fluoro-, 1-(1,1-diMethylethyl) ester;1-(tert-Butoxycarbonyl)-4-fluoropiperidine-4-carboxylic acid, 1-(tert-Butoxycarbonyl)-4-carboxy-4-fluoropiperidine;4-Fluoropiperidine-4-carboxylic acid, N-BOC protected 95%

Article Data 2

1-Boc-4-fluoro-4-piperidinecarboxylic acid Specification

This chemical is called 1-Boc-4-fluoro-4-piperidinecarboxylic acid, and its systematic name is 1-(tert-butoxycarbonyl)-4-fluoropiperidine-4-carboxylic acid. With the molecular formula of C11H18FNO4, its molecular weight is 247.26. The CAS registry number of this chemical is 614731-04-3.

Other characteristics of the 1-Boc-4-fluoro-4-piperidinecarboxylic acid can be summarised as followings: (1)ACD/LogP: 1.46; (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: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.84 Å2; (11)Index of Refraction: 1.49; (12)Molar Refractivity: 58.457 cm3; (13)Molar Volume: 202.155 cm3; (14)Polarizability: 23.174×10-24cm3; (15)Surface Tension: 42.702 dyne/cm; (16)Density: 1.223 g/cm3; (17)Flash Point: 163.221 °C; (18)Enthalpy of Vaporization: 64.878 kJ/mol; (19)Boiling Point: 346.275 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OC(=O)C1(F)CCN(CC1)C(=O)OC(C)(C)C
2.InChI: InChI=1/C11H18FNO4/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)
3.InChIKey:NRQOTEPIFSRDMH-UHFFFAOYAL

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