Carbamic acid,N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]-, 9H-fluoren-9-ylmethyl ester supplier

Name
FMOC-ILE-OL
EINECS
CAS No. 133565-46-5
Article Data6
CAS DataBase
Density 1.149 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₅NO₃
Boiling Point 525.204 °C at 760 mmHg
Molecular Weight 339.434
Flash Point 271.434 °C
Transport Information
Appearance White Powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamic acid, [1-(hydroxymethyl)-2-methylbutyl]-, 9H-fluoren-9-ylmethylester, [S-(R*,R*)]-;
PSA 58.56000
LogP 4.32300

Carbamic acid,N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]-, 9H-fluoren-9-ylmethyl ester Specification

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

Product Name

FMOC-ILE-OL

Carbamic acid,N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]-, 9H-fluoren-9-ylmethyl ester Specification

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