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CAS No.: | 129397-83-7 |
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Name: | FMOC-PHE-OL |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C24H23NO3 |
Molecular Weight: | 373.452 |
Synonyms: | Carbamicacid, [(1S)-1-(hydroxymethyl)-2-phenylethyl]-, 9H-fluoren-9-ylmethyl ester(9CI);Carbamic acid, [1-(hydroxymethyl)-2-phenylethyl]-, 9H-fluoren-9-ylmethylester, (S)-;Fmoc-Phe-ol;Fmoc-Phenylalaninol; |
Density: | 1.219 g/cm3 |
Melting Point: | 129-130 °C |
Boiling Point: | 606.1 °C at 760 mmHg |
Flash Point: | 320.4 °C |
Safety: | 24/25 |
PSA: | 58.56000 |
LogP: | 4.51960 |
The Carbamic acid,N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-, 9H-fluoren-9-ylmethyl ester with the CAS number 129397-83-7 is also called Carbamic acid, [1-(hydroxymethyl)-2-phenylethyl]-, 9H-fluoren-9-ylmethylester, (S)-. The systematic name is 9H-fluoren-9-ylmethyl [(1S)-1-benzyl-2-hydroxyethyl]carbamate. Its molecular formula is C24H23NO3. This chemical belongs to the following product categories: (1)Amino Acids; (2)Amino Alcohols; (3)Fmoc-Amino acid series. It should be stored at -15°C.
The properties of the Carbamic acid,N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-, 9H-fluoren-9-ylmethyl ester are: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.08; (4)ACD/LogD (pH 7.4): 5.08; (5)ACD/BCF (pH 5.5): 4294.09; (6)ACD/BCF (pH 7.4): 4293.63; (7)ACD/KOC (pH 5.5): 13867.64; (8)ACD/KOC (pH 7.4): 13866.13; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 108.37 cm3; (15)Molar Volume: 306.3 cm3; (16)Polarizability: 42.96×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Enthalpy of Vaporization: 94.74 kJ/mol; (19)Vapour Pressure: 1.52×10-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2c3cccc2)N[C@@H](Cc4ccccc4)CO
(2)InChI: InChI=1/C24H23NO3/c26-15-18(14-17-8-2-1-3-9-17)25-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23,26H,14-16H2,(H,25,27)/t18-/m0/s1
(3)InChIKey: SJGBJASOHDROCR-SFHVURJKBS