CAS No.672310-11-1,1-N-Fmoc-3-piperidone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	672310-11-1
Name:	1-N-Fmoc-3-piperidone

Formula:	C₂₀H₁₉NO₃
Molecular Weight:	321.3698
Synonyms:	9H-fluoren-9-yl）methyl3-oxopiperidine-1-carboxylate;
Density:	1.255 g/cm³
Melting Point:	90-96℃
Boiling Point:	510.4 °C at 760 mmHg
Flash Point:	262.5 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	N
Risk Codes:	50/53
Safety:	60-61
PSA:	46.61000
LogP:	3.53830

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Specification

The 1-N-Fmoc-3-piperidone, with the CAS registry number 672310-11-1, is also known as 1-Piperidinecarboxylic acid, 3-oxo-, 9H-fluoren-9-ylmethyl ester. This chemical's molecular formula is C₂₀H₁₉NO₃ and molecular weight is 321.3698. Its systematic name is called 9H-fluoren-9-ylmethyl 3-oxopiperidine-1-carboxylate.

Physical properties of 1-N-Fmoc-3-piperidone: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): 2.85; (3)ACD/LogD (pH 7.4): 2.85; (4)ACD/BCF (pH 5.5): 86.81; (5)ACD/BCF (pH 7.4): 86.81; (6)ACD/KOC (pH 5.5): 849.66; (7)ACD/KOC (pH 7.4): 849.66; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.616; (11)Molar Refractivity: 89.51 cm³; (12)Molar Volume: 255.9 cm³; (13)Surface Tension: 52.9 dyne/cm; (14)Density: 1.255 g/cm³; (15)Flash Point: 262.5 °C; (16)Enthalpy of Vaporization: 78.12 kJ/mol; (17)Boiling Point: 510.4 °C at 760 mmHg; (18)Vapour Pressure: 1.55E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4CN(C(=O)OCC3c1ccccc1c2ccccc23)CCC4
(2)InChI: InChI=1/C20H19NO3/c22-14-6-5-11-21(12-14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,19H,5-6,11-13H2
(3)InChIKey: ZHMRQZFSADRNCI-UHFFFAOYAZ