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1-Boc-4-Fmoc-2-piperazinecarboxylic acid

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Name

1-Boc-4-Fmoc-2-piperazinecarboxylic acid

EINECS N/A
CAS No. 218278-58-1 Density 1.293 g/cm3
PSA 96.38000 LogP 3.81720
Solubility N/A Melting Point 156-158 °C
Formula C25H28N2O6 Boiling Point 624.376 °C at 760 mmHg
Molecular Weight 452.507 Flash Point 331.411 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-22 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 218278-58-1 (1-Boc-4-Fmoc-2-piperazinecarboxylic acid) Hazard Symbols HarmfulXn
Synonyms

4-Fmoc-1-Boc-piperazine-2-carboxylic acid;1-(tert-Butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-piperazinecarboxylic acid;

Article Data 2

1-Boc-4-Fmoc-2-piperazinecarboxylic acid Specification

The 1-Boc-4-Fmoc-2-piperazinecarboxylic acid, with the CAS registry number 218278-58-1, is also known as 1-(tert-Butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-piperazinecarboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C25H28N2O6 and molecular weight is 452.50. What's more, its systematic name is 4-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid.

Physical properties of 1-Boc-4-Fmoc-2-piperazinecarboxylic acid are: (1)ACD/LogP: 4.861; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.10; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 49.99; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 180.26; (8)ACD/KOC (pH 7.4): 4.15; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 96.38 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 119.26 cm3; (15)Molar Volume: 349.977 cm3; (16)Polarizability: 47.278×10-24cm3; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 331.411 °C; (20)Enthalpy of Vaporization: 97.194 kJ/mol; (21)Boiling Point: 624.376 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N4CC(N(C(=O)OC(C)(C)C)CC4)C(=O)O
(2)Std. InChI: InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-26(14-21(27)22(28)29)23(30)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)
(3)Std. InChIKey: ZVHNNCSUTNWKFC-UHFFFAOYSA-N 

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