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CAS No.: | 1072502-05-6 |
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Name: | (9H-fluoren-9-yl)methyl 3-hydroxypiperidine-1-carboxylate |
Molecular Structure: | |
Formula: | C20H21NO3 |
Molecular Weight: | 323.392 |
Synonyms: | (9H-fluoren-9-yl)methyl 3-hydroxypiperidine-1-carboxylate;I14-8512;1-Piperidinecarboxylicacid,3-hydroxy-,9H-fluoren-9-ylmethyl ester; |
Density: | 1.261 g/cm3 |
Boiling Point: | 510.691 °C at 760 mmHg |
Flash Point: | 262.657 °C |
PSA: | 49.77000 |
LogP: | 3.33010 |
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This chemical is called 1-Piperidinecarboxylicacid, 3-hydroxy-, 9H-fluoren-9-ylmethyl ester, and its systematic name is 9H-fluoren-9-ylmethyl 3-hydroxypiperidine-1-carboxylate. With the molecular formula of C20H21NO3, its molecular weight is 323.39. The CAS registry number of this chemical is 1072502-05-6.
Other characteristics of the 1-Piperidinecarboxylicacid, 3-hydroxy-, 9H-fluoren-9-ylmethyl ester can be summarised as followings: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.644; (4)ACD/LogD (pH 7.4): 3.644; (5)ACD/BCF (pH 5.5): 346.004; (6)ACD/BCF (pH 7.4): 346.004; (7)ACD/KOC (pH 5.5): 2286.013; (8)ACD/KOC (pH 7.4): 2286.013; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.77 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 90.974 cm3; (15)Molar Volume: 256.472 cm3; (16)Polarizability: 36.065×10-24cm3; (17)Surface Tension: 55.566 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 262.657 °C; (20)Enthalpy of Vaporization: 82.286 kJ/mol; (21)Boiling Point: 510.691 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCCC(C4)O
2.InChI: InChI=1/C20H21NO3/c22-14-6-5-11-21(12-14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19,22H,5-6,11-13H2
3.InChIKey: UPMBUSIITKEKOM-UHFFFAOYAC