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CAS No.: | 133565-46-5 |
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Name: | FMOC-ILE-OL |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C21H25NO3 |
Molecular Weight: | 339.434 |
Synonyms: | Carbamic acid, [1-(hydroxymethyl)-2-methylbutyl]-, 9H-fluoren-9-ylmethylester, [S-(R*,R*)]-; |
Density: | 1.149 g/cm3 |
Boiling Point: | 525.204 °C at 760 mmHg |
Flash Point: | 271.434 °C |
Appearance: | White Powder |
PSA: | 58.56000 |
LogP: | 4.32300 |
The Carbamic acid,N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]-, 9H-fluoren-9-ylmethyl ester, with the CAS registry number of 133565-46-5, is also known as Carbamic acid, [1-(hydroxymethyl)-2-methylbutyl]-, 9H-fluoren-9-ylmethylester, [S-(R*,R*)]-. It belongs to the product categories of Amino Acids; Amino Alcohols; Fmoc-Amino acid series. Its molecular formula is C21H25NO3 and molecular weight is 339.43. What's more, its systematic name is 9H-Fluoren-9-ylmethyl N-[(1S,2S)-1-(hydroxymethyl)-2-methyl-butyl]carbamate.
Physical properties about the Carbamic acid,N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]-, 9H-fluoren-9-ylmethyl ester are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.592; (4)ACD/LogD (pH 7.4): 4.592; (5)ACD/BCF (pH 5.5): 1820.101; (6)ACD/BCF (pH 7.4): 1819.923; (7)ACD/KOC (pH 5.5): 7501.939; (8)ACD/KOC (pH 7.4): 7501.203; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 58.56 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 97.741 cm3; (15)Molar Volume: 295.502 cm3; (16)Surface Tension: 47.014 dyne/cm; (17)Density: 1.149 g/cm3; (18)Flash Point: 271.434 °C; (19)Enthalpy of Vaporization: 84.139 kJ/mol; (20)Boiling Point: 525.204 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC[C@H](C)[C@@H](CO)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2) InChI: InChI=1/C21H25NO3/c1-3-14(2)20(12-23)22-21(24)25-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20,23H,3,12-13H2,1-2H3,(H,22,24)/t14-,20+/m0/s1
(3) InChIKey: YMPMFRNXDNCNRH-VBKZILBWBJ