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Name |
Carbamic acid,N-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-, 9H-fluoren-9-ylmethyl ester |
EINECS | N/A |
CAS No. | 139551-83-0 | Density | 1.148 g/cm3 |
PSA | 58.56000 | LogP | 4.32300 |
Solubility | N/A | Melting Point |
112-113 °C |
Formula | C21H25NO3 | Boiling Point | 525.2 °C at 760 mmHg |
Molecular Weight | 339.434 | Flash Point | 271.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Carbamicacid, [(1S)-1-(hydroxymethyl)-3-methylbutyl]-, 9H-fluoren-9-ylmethyl ester(9CI);Carbamic acid, [1-(hydroxymethyl)-3-methylbutyl]-, 9H-fluoren-9-ylmethylester, (S)-;NPC 15427; |
Article Data | 27 |
The Carbamic acid, N-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-, 9H-fluoren-9-ylmethyl ester, with the CAS registry number 139551-83-0, is also known as Fmoc-L-leucinol. It belongs to the product categories of Amino Acids; Amino Alcohols; Fmoc-Amino Acid Series. This chemical's molecular formula is C21H25NO3 and molecular weight is 339.43. What's more, its systematic name is 9H-Fluoren-9-ylmethyl [(1S)-1-(hydroxymethyl)-3-methylbutyl]carbamate. In addition, it must be stored at -15 °C.
Physical properties about Carbamic acid, N-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-, 9H-fluoren-9-ylmethyl ester are: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2152.76; (6)ACD/BCF (pH 7.4): 2152.55; (7)ACD/KOC (pH 5.5): 8459.7; (8)ACD/KOC (pH 7.4): 8458.87; (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: 1.575; (14)Molar Refractivity: 97.74 cm3; (15)Molar Volume: 295.5 cm3; (16)Polarizability: 38.74×10-24 cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 271.4 °C; (20)Enthalpy of Vaporization: 84.14 kJ/mol; (21)Boiling Point: 525.2 °C at 760 mmHg; (22)Vapour Pressure: 7.37E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC3c1ccccc1c2c3cccc2)N[C@@H](CC(C)C)CO
(2) InChI: InChI=1/C21H25NO3/c1-14(2)11-15(12-23)22-21(24)25-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20,23H,11-13H2,1-2H3,(H,22,24)/t15-/m0/s1
(3) InChIKey: WXMGVJAOLIDKGZ-HNNXBMFYBM