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CAS No.: | 710972-40-0 |
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Name: | 4-(2-METHOXYETHYLAMINO)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C13H26N2O3 |
Molecular Weight: | 258.361 |
Synonyms: | 4-(2-Methoxyethylamino)piperidine-1-carboxylicacid tert-butyl ester;tert-Butyl4-[(2-methoxyethyl)amino]piperidine-1-carboxylate; |
Density: | 1.03 g/cm3 |
Boiling Point: | 337.6 °C at 760 mmHg |
Flash Point: | 158 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 50.80000 |
LogP: | 1.95070 |
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This chemical is called 1-Piperidinecarboxylicacid, 4-[(2-methoxyethyl)amino]-, 1,1-dimethylethyl ester, and its systematic name is tert-butyl 4-(2-methoxyethylamino)piperidine-1-carboxylate. With the molecular formula of C13H26N2O3, its molecular weight is 258.36. The CAS registry number of this chemical is 710972-40-0.
Other characteristics of the 1-Piperidinecarboxylicacid, 4-[(2-methoxyethyl)amino]-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 50.8 Å2; (7)Index of Refraction: 1.484; (8)Molar Refractivity: 71.3 cm3; (9)Molar Volume: 249.2 cm3; (10)Polarizability: 28.26×10-24cm3; (11)Surface Tension: 37.2 dyne/cm; (12)Density: 1.03 g/cm3; (13)Flash Point: 158 °C; (14)Enthalpy of Vaporization: 58.09 kJ/mol; (15)Boiling Point: 337.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NCCOC
2.InChI: InChI=1/C13H26N2O3/c1-13(2,3)18-12(16)15-8-5-11(6-9-15)14-7-10-17-4/h11,14H,5-10H2,1-4H3
3.InChIKey: JDQHOQBFYIPISR-UHFFFAOYAI