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1,3-Piperidinedicarboxylicacid, 1-(9H-fluoren-9-ylmethyl) ester

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Name

1,3-Piperidinedicarboxylicacid, 1-(9H-fluoren-9-ylmethyl) ester

EINECS N/A
CAS No. 158922-07-7 Density 1.293 g/cm3
PSA 66.84000 LogP 3.67000
Solubility N/A Melting Point N/A
Formula C21H21NO4 Boiling Point 561.6 °C at 760 mmHg
Molecular Weight 351.4 Flash Point 293.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 158922-07-7 (FMOC-NIP-OH) Hazard Symbols IrritantXi
Synonyms

3-Carboxypiperidine-1-carboxylicacid 9H-fluoren-9-ylmethyl ester;N-(9-Fluorenylmethoxycarbonyl)piperidine-3-carboxylicacid;

 

1,3-Piperidinedicarboxylicacid, 1-(9H-fluoren-9-ylmethyl) ester Specification

The 1,3-Piperidinedicarboxylicacid, 1-(9H-fluoren-9-ylmethyl) ester is an organic compound with the formula C21H21NO4. The systematic name of this chemical is 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-3-carboxylic acid. With the CAS registry number 158922-07-7, it is also named as (3S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-3-carboxylic acid. Besides, it should be stored at 2 - 8°C.

Physical properties about 1,3-Piperidinedicarboxylicacid, 1-(9H-fluoren-9-ylmethyl) ester are: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 24.35; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 169.96; (7)ACD/KOC (pH 7.4): 2.69; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.62; (13)Molar Refractivity: 95.49 cm3; (14)Molar Volume: 271.7 cm3; (15)Polarizability: 37.85×10-24 cm3; (16)Surface Tension: 56.6 dyne/cm; (17)Density: 1.293 g/cm3; (18)Flash Point: 293.5 °C; (19)Enthalpy of Vaporization: 88.85 kJ/mol; (20)Boiling Point: 561.6 °C at 760 mmHg; (21)Vapour Pressure: 1.89E-13 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)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)
(2)InChIKey: FINXGQXNIBNREL-UHFFFAOYAY
(3)Std. InChI: InChI=1S/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)
(4)Std. InChIKey: FINXGQXNIBNREL-UHFFFAOYSA-N

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