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(R)-1-Fmoc-piperidine-3-carboxylic acid

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Name

(R)-1-Fmoc-piperidine-3-carboxylic acid

EINECS N/A
CAS No. 193693-67-3 Density 1.293 g/cm3
PSA 66.84000 LogP 3.67000
Solubility N/A Melting Point N/A
Formula C21H21NO4 Boiling Point 561.624 °C at 760 mmHg
Molecular Weight 351.402 Flash Point 293.46 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 193693-67-3 ((R)-1-FMOC-PIPERIDINE-3-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

N-(9-FLUORENYLMETHOXYCARBONYL)-D-3-PIPERIDINECARBOXYLIC ACID;N-(9-FLUORENYLMETHOXYCARBONYL)-D-NIPECOTIC ACID;N-(9-FLUORENYLMETHOXYCARBONYL)-N-(R)-PIPERIDINE-3-CARBOXYLIC ACID;N-(9-FLUORENYLMETHOXYCARBONYL)-(R)-NIPECOTIC ACID;(R)-N-FMOC-PIPERIDINE-3-CARBOXYLIC ACID;(R)-N-(9-FLUORENYLMETHYLOXYCARBONYL)-NIPECOTIC ACID;(R)-N-(9-FLUORENYLMETHYLOXYCARBONYL)-PIPERIDINE-3-CARBOXYLIC ACID;(R)-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-(9H-FLUOREN-9-YLMETHYL) ESTER

 

(R)-1-Fmoc-piperidine-3-carboxylic acid Specification

The (R)-1-Fmoc-piperidine-3-carboxylic acid, with the cas registry number of 193693-67-3, has the systematic name of (3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid. And the molecular formula of the chemical is C21H21NO4.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.888; (4)ACD/LogD (pH 7.4): 1.087; (5)ACD/BCF (pH 5.5): 51.107; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 288.915; (8)ACD/KOC (pH 7.4): 4.565; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.84 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 95.491 cm3; (15)Molar Volume: 271.734 cm3; (16)Polarizability: 37.855×10-24cm3; (17)Surface Tension: 56.645 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 293.46 °C; (20)Enthalpy of Vaporization: 88.854 kJ/mol; (21)Boiling Point: 561.624 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCC[C@H](C4)C(=O)O
(2)InChI: InChI=1/C21H21NO4/c23-20(24)14-6-5-11-22(12-14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)/t14-/m1/s1
(3)InChIKey: FINXGQXNIBNREL-CQSZACIVBJ

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