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CAS No.: | 885274-47-5 |
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Name: | 4-(1-FMOC-PIPERIDIN-4-YL)-BUTYRIC ACID |
Molecular Structure: | |
Formula: | C24H27NO4 |
Molecular Weight: | 393.483 |
Synonyms: | 4-{1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidin-4-yl}butanoic acid;4-(1-Fmoc-Piperidin-4-yl)-butyric acid;4-(3-Carboxy-propyl)-piperidine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester; |
Density: | 1.211 g/cm3 |
Boiling Point: | 591 °C at 760 mmHg |
Flash Point: | 311.2 °C |
PSA: | 66.84000 |
LogP: | 4.84030 |
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This chemical is called 4-Piperidinebutanoic acid, 1-[(9H-fluoren-9-ylmethoxy)carbonyl]-, and its systematic name is 4-{1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidin-4-yl}butanoic acid. With the molecular formula of C24H27NO4, its molecular weight is 393.49. The CAS registry number of this chemical is 885274-47-5.
Other characteristics of the 4-Piperidinebutanoic acid, 1-[(9H-fluoren-9-ylmethoxy)carbonyl]- can be summarised as followings: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 1.94; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 66.84 Å2; (9)Index of Refraction: 1.589; (10)Molar Refractivity: 109.54 cm3; (11)Molar Volume: 324.6 cm3; (12)Polarizability: 43.42×10-24cm3; (13)Surface Tension: 50.5 dyne/cm; (14)Density: 1.211 g/cm3; (15)Flash Point: 311.2 °C; (16)Enthalpy of Vaporization: 92.73 kJ/mol; (17)Boiling Point: 591 °C at 760 mmHg; (18)Vapour Pressure: 8.18E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC3c1ccccc1c2ccccc23)N4CCC(CCCC(O)=O)CC4
2.InChI: InChI=1/C24H27NO4/c26-23(27)11-5-6-17-12-14-25(15-13-17)24(28)29-16-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,17,22H,5-6,11-16H2,(H,26,27)
3.InChIKey: YYRZYEJDKCYTOM-UHFFFAOYAU