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71989-23-6

Basic Information
CAS No.: 71989-23-6
Name: Fmoc-L-Isoleucine
Article Data: 18
Molecular Structure:
Molecular Structure of 71989-23-6 (Fmoc-L-Isoleucine)
Formula: C21H23NO4
Molecular Weight: 353.418
Synonyms: (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoate;N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-isoleucine;(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoate;Fmoc-L-Ile-OH;Fmoc-lle-OH;N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine;N-(9-Fluorenylmethoxycarbonyl)-L-isoleucine;
EINECS: 276-255-9
Density: 1.207 g/cm3
Melting Point: 145-147 °C(lit.)
Boiling Point: 559.8 °C at 760 mmHg
Flash Point: 292.4 °C
Appearance: white fine crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-36/37/39-27-26
PSA: 75.63000
LogP: 4.41530
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Specification

The FMOC-L-Isoleucine, with CAS registry number 71989-23-6, belongs to the following product categories: (1)Protected Amino Acids; (2)Fluorenes, Flurenones; (3)Aminoacids Derivatives; (4)Amino Acids; (5)Isoleucine [Ile, I]; (6)Fmoc-Amino Acids and Derivatives; (7)Amino Acids (N-Protected); (8)Biochemistry; (9)Fmoc-Amino Acids; (10)Fmoc-Amino acid series. It has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine. This chemical is a kind of white fine crystalline powder. It should be stored at the temperature of 2-8°C. What's more, its EINECS is 276-255-9.

Physical properties of FMOC-L-Isoleucine: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 37.61; (6)ACD/BCF (pH 7.4): 1.08; (7)ACD/KOC (pH 5.5): 129.54; (8)ACD/KOC (pH 7.4): 3.72; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 75.63 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.

Preparation: this chemical can be prepared by L-isoleucine and N-(9-fluorenylmethoxycarbonyl)succinimide. This reaction will need reagent triethylamine and solvents H2O, acetonitrile. The reaction time is 1 hour(s). The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
The FMOC-L-Isoleucine irritates to eyes, respiratory system and skin. You should not breathe dust and should avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. After using it, take off immediately all contaminated clothing. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)C(C)CC
(2)InChI: InChI=1/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13?,19-/m0/s1
(3)InChIKey: QXVFEIPAZSXRGM-YFKXAPIDBV
(4)Std. InChI: InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13?,19-/m0/s1
(5)Std. InChIKey: QXVFEIPAZSXRGM-YFKXAPIDSA-N

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