Name: 1-Boc-4-Fmoc-2-piperazinecarboxylic acid
SKU: 218278-58-1

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Basic Information

Molecular Structure:
CAS No.:	218278-58-1
Name:	1-Boc-4-Fmoc-2-piperazinecarboxylic acid
Article Data:	2

Formula:	C₂₅H₂₈N₂O₆
Molecular Weight:	452.507
Synonyms:	4-Fmoc-1-Boc-piperazine-2-carboxylic acid;1-(tert-Butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-piperazinecarboxylic acid;
Density:	1.293 g/cm³
Melting Point:	156-158 °C
Boiling Point:	624.376 °C at 760 mmHg
Flash Point:	331.411 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38-20/21/22
Safety:	26-36/37/39-22
PSA:	96.38000
LogP:	3.81720

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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 C₂₅H₂₈N₂O₆and 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