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N'-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N'-methyl-L-lysine

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Name

N'-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N'-methyl-L-lysine

EINECS
CAS No. 951695-85-5 Density 1.2 g/cm3
Solubility Melting Point 85-87 °C
Formula C27H34N2O6 Boiling Point 665.36 °C at 760 mmHg
Molecular Weight 482.57 Flash Point 356.197 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 951695-85-5 (N'-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N'-methyl-L-lysine) Hazard Symbols IrritantXi
Synonyms

Fmoc-Lys(Boc,Me)-OH;Fmoc-Lys(Me,Boc)-OH;

 

N'-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N'-methyl-L-lysine Specification

The N'-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N'-methyl-L-lysine, with the CAS registry number 951695-85-5, is also known as Fmoc-Lys(Boc,Me)-OH. This chemical's molecular formula is C27H34N2O6 and molecular weight is 482.57. What's more, its systematic name is called N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N6-methyl-N6-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-lysine. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about N'-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N'-methyl-L-lysine are: (1)ACD/LogP: 5.455; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 80.38; (6)ACD/BCF (pH 7.4): 2.47; (7)ACD/KOC (pH 5.5): 215.69; (8)ACD/KOC (pH 7.4): 6.62; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 105.17 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 131.071 cm3; (15)Molar Volume: 402.069 cm3; (16)Polarizability: 51.961×10-24cm3; (17)Surface Tension: 49.352 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 356.197 °C; (20)Enthalpy of Vaporization: 102.789 kJ/mol; (21)Boiling Point: 665.36 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N(C)CCCCC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2) InChI: InChI=1S/C27H34N2O6/c1-27(2,3)35-26(33)29(4)16-10-9-15-23(24(30)31)28-25(32)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22-23H,9-10,15-17H2,1-4H3,(H,28,32)(H,30,31)/t23-/m0/s1
(3) InChIKey: JHMSFOFHTAYQLS-QHCPKHFHSA-N

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