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CAS No.: | 886362-37-4 |
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Name: | ETHYL 3-(1-BOC-PIPERIDINE-4-YL)-DL-BETA-ALANINATE |
Molecular Structure: | |
Formula: | C15H28N2O4 |
Molecular Weight: | 300.39 |
Synonyms: | tert-Butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;1-Boc-4-(1-Amino-2-ethoxycarbonylethyl)piperidine;4-(1-Amino-2-ethoxycarbonyl-ethyl)-piperidine-1-carboxylic acid tert-butyl ester; |
Density: | 1.084 g/cm3 |
Boiling Point: | 398.3 °C at 760 mmHg |
Flash Point: | 194.7 °C |
PSA: | 81.86000 |
LogP: | 2.55220 |
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This chemical is called 4-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester, and its systematic name is tert-Butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate. With the molecular formula of C15H28N2O4, its molecular weight is 300.39. The CAS registry number of this chemical is 886362-37-4.
Other characteristics of the 4-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester can be summarised as followings: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.19; (4)#H bond acceptors: 6; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 8; (7)Polar Surface Area: 81.86 Å2; (8)Index of Refraction: 1.488; (9)Molar Refractivity: 79.88 cm3; (10)Molar Volume: 276.9 cm3; (11)Polarizability: 31.66×10-24cm3; (12)Surface Tension: 40.9 dyne/cm; (13)Density: 1.084 g/cm3; (14)Flash Point: 194.7 °C; (15)Enthalpy of Vaporization: 64.89 kJ/mol; (16)Boiling Point: 398.3 °C at 760 mmHg; (17)Vapour Pressure: 1.49E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)CC(N)C1CCN(CC1)C(=O)OC(C)(C)C
2.InChI: InChI=1/C15H28N2O4/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3
3.InChIKey: LIWIVVWMLYSOFS-UHFFFAOYAC