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FMOC-L-Leucine

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Name

FMOC-L-Leucine

EINECS 252-662-7
CAS No. 35661-60-0 Density 1.207 g/cm3
PSA 75.63000 LogP 4.41530
Solubility N/A Melting Point 152-156 °C(lit.)
Formula C21H23NO4 Boiling Point 559.8 °C at 760 mmHg
Molecular Weight 353.418 Flash Point 292.4 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 22-24/25-36/37/39-27-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 35661-60-0 (Fmoc-L-Leucine) Hazard Symbols IrritantXi
Synonyms

N-(9-Fluorenylmethoxycarbonyl)-L-leucine;2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylpentanoic acid;Fmoc-Leu-OH;

Article Data 42

FMOC-L-Leucine Specification

The FMOC-L-Leucine, with the CAS registry number 35661-60-0 and EINECS registry number 252-662-7, has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-leucine. It is a kind of white to light yellow crystal powder, and the molecular formula of the chemical is C21H23NO4. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of FMOC-L-Leucine are as followings: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 36.49; (6)ACD/BCF (pH 7.4): 1.07; (7)ACD/KOC (pH 5.5): 125.68; (8)ACD/KOC (pH 7.4): 3.67; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 97.77 cm3; (15)Molar Volume: 292.6 cm3; (16)Polarizability: 38.75×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.207 g/cm3; (19)Flash Point: 292.4 °C; (20)Enthalpy of Vaporization: 88.62 kJ/mol; (21)Boiling Point: 559.8 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-13 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CC(C)C
(2)InChI: InChI=1/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
(3)InChIKey: CBPJQFCAFFNICX-IBGZPJMEBI

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