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125700-32-5

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Basic Information
CAS No.: 125700-32-5
Name: FMOC-[15N]PHE-OH
Molecular Structure:
Molecular Structure of 125700-32-5 (FMOC-[15N]PHE-OH)
Formula: C24H21NO4
Molecular Weight: 388.44
Synonyms: 1,2-ethanediol, 1-(2-chlorophenyl)-, (1S)-;
EINECS: 252-661-1
Density: 1.328g/cm3
Melting Point: 180-187oC(lit.)
Boiling Point: 322 °C at 760 mmHg
Flash Point: 148.5 °C
Safety: 22-24/25
PSA: 75.63000
LogP: 4.61190
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  • FMOC-[15N]PHE-OH

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    FMOC-[15N]PHE-OH

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Specification

The Fmoc-L-[15N]phenylalanine, with CAS registry number 125700-32-5, has the systematic name of (1S)-1-(2-chlorophenyl)ethane-1,2-diol. Besides this, it is also called 1,2-ethanediol, 1-(2-chlorophenyl)-, (1S)-. And this chemical should be stored at the temperature of -15°C. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.78; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 52.52; (8)ACD/KOC (pH 7.4): 52.52; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 43.76 cm3; (15)Molar Volume: 129.9 cm3; (16)Polarizability: 17.35×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Enthalpy of Vaporization: 59.52 kJ/mol; (19)Vapour Pressure: 0.000119 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1ccccc1[C@H](O)CO
(2)InChI: InChI=1/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1
(3)InChIKey: YGOPULMDEZVJGI-MRVPVSSYBQ
(4)Std. InChI: InChI=1S/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1
(5)Std. InChIKey: YGOPULMDEZVJGI-MRVPVSSYSA-N