Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xn | |
Synonyms |
4-Fmoc-1-Boc-piperazine-2-carboxylic acid;1-(tert-Butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-piperazinecarboxylic acid; |
Article Data | 2 |
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