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| CAS No.: | 885951-77-9 |
|---|---|
| Name: | FMOC-1-AMINO-1-CYCLOBUTANECARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C20H19NO4 |
| Molecular Weight: | 337.375 |
| Synonyms: | Fmoc-1-amino-1-cyclobutanecarboxylic acid;Fmoc-AC4C-OH;Fmoc-cyclovaline;1-(Fmoc-amino)cyclobutanecarboxylic acid; |
| Density: | 1.35 g/cm3 |
| Boiling Point: | 574.7 °C at 760 mmHg |
| Flash Point: | 301.4 °C |
| PSA: | 75.63000 |
| LogP: | 3.92330 |
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Specification
This chemical is called Cyclobutanecarboxylic acid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, and its systematic name is 1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}cyclobutanecarboxylic acid. With the molecular formula of C20H19NO4, its molecular weight is 337.37. The CAS registry number of this chemical is 885951-77-9, and its product categories are Pharmacetical; Amino Acid Derivatives. Additionally, this chemical should be stored at the temperature of 2-8°C.
Other characteristics of the Cyclobutanecarboxylic acid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- can be summarised as followings: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 5.04; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.95; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 91.55 cm3; (15)Molar Volume: 248.6 cm3; (16)Polarizability: 36.29×10-24cm3; (17)Surface Tension: 64.9 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 301.4 °C; (20)Enthalpy of Vaporization: 90.57 kJ/mol; (21)Boiling Point: 574.7 °C at 760 mmHg; (22)Vapour Pressure: 4.77E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C4(NC(=O)OCC3c1ccccc1c2c3cccc2)CCC4
2.InChI: InChI=1/C20H19NO4/c22-18(23)20(10-5-11-20)21-19(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,21,24)(H,22,23)
3.InChIKey: QGLSMDZVGLRTKH-UHFFFAOYAF