4-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester supplier

Name
ETHYL 3-(1-BOC-PIPERIDINE-4-YL)-DL-BETA-ALANINATE
EINECS
CAS No. 886362-37-4
Density 1.084 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₈N₂O₄
Boiling Point 398.3 °C at 760 mmHg
Molecular Weight 300.39
Flash Point 194.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 81.86000
LogP 2.55220

4-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester Specification

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

Product Name

ETHYL 3-(1-BOC-PIPERIDINE-4-YL)-DL-BETA-ALANINATE

4-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester Specification

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