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CAS No.: | 220497-67-6 |
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Name: | (-)-(1R,3S)-N-FMOC-3-AMINOCYCLOPENTANECARBOXYLIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C21H21NO4 |
Molecular Weight: | 351.402 |
Synonyms: | (-)-(1R,3S)-N-FMOC-3-AMINOCYCLOPENTANECARBOXYLIC ACID; Y6721; (1R,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclopentanecarboxylic acid; |
Density: | 1.32 g/cm3 |
Melting Point: | 163.8 °C |
Boiling Point: | 584.8 °C at 760 mmHg |
Flash Point: | 307.5 °C |
Appearance: | white to off-white powder |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 75.63000 |
LogP: | 4.16930 |
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The Cyclopentanecarboxylicacid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (1R,3S)-, with CAS registry number 220497-67-6, is also known as (1R,3S)- N-Fmoc-3-aminocyclopentanecarboxylic acid. Its molecular formula is C21H21NO4 and its systematic name is (1R,3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentanecarboxylic acid. Moreover, this chemical is white to off-white powder which should be kept cool and dry. what's more, its product categories are Fmoc; Unusual Amino Acids; API Intermediates. Please avoid contact with skin and eyes if you use it.
Physical properties of Cyclopentanecarboxylicacid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (1R,3S)- are : (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 49.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 310.9; (8)ACD/KOC (pH 7.4): 4.89; (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: 1.643; (14)Molar Refractivity: 96.13 cm3; (15)Molar Volume: 265.6 cm3; (16)Polarizability: 38.11×10-24cm3; (17)Surface Tension: 62 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 307.5 °C; (20)Enthalpy of Vaporization: 91.91 kJ/mol; (21)Boiling Point: 584.8 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@H]4C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CC4
2.InChI: InChI=1/C21H21NO4/c23-20(24)13-9-10-14(11-13)22-21(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12H2,(H,22,25)(H,23,24)/t13-,14+/m1/s1
3.InChIKey: BHDMUBZVWRSQOT-KGLIPLIRBO