3-Piperidinepropanoic acid, β-amino-1-[(phenylmethoxy)carbonyl]-, ethyl ester supplier

Name
3-AMINO-3-(3'-CBZ)PIPERIDINE-PROPIONIC ACID ETHYL ESTER
EINECS
CAS No. 886362-35-2
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₆N₂O₄
Boiling Point 472.8 °C at 760 mmHg
Molecular Weight 334.41
Flash Point 239.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzyl 3-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;3-(1-Amino-2-ethoxycarbonyl-ethyl)-piperidine-1-carboxylic acid benzyl ester;
PSA 81.86000
LogP 2.95390

3-Piperidinepropanoic acid, β-amino-1-[(phenylmethoxy)carbonyl]-, ethyl ester Specification

This chemical is called 3-Piperidinepropanoic acid, β-amino-1-[(phenylmethoxy)carbonyl]-, ethyl ester, and its systematic name is Benzyl 3-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate. With the molecular formula of C₁₈H₂₆N₂O₄, its molecular weight is 334.41. The CAS registry number of this chemical is 886362-35-2.

Other characteristics of the 3-Piperidinepropanoic acid, β-amino-1-[(phenylmethoxy)carbonyl]-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.94; (4)#H bond acceptors: 6; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 9; (7)Polar Surface Area: 81.86 Å²; (8)Index of Refraction: 1.54; (9)Molar Refractivity: 90.5 cm³; (10)Molar Volume: 288.1 cm³; (11)Polarizability: 35.87×10^-24cm³; (12)Surface Tension: 47.9 dyne/cm; (13)Density: 1.16 g/cm³; (14)Flash Point: 239.7 °C; (15)Enthalpy of Vaporization: 73.57 kJ/mol; (16)Boiling Point: 472.8 °C at 760 mmHg; (17)Vapour Pressure: 4.17E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCc1ccccc1)N2CCCC(C2)C(N)CC(=O)OCC
2.InChI: InChI=1/C18H26N2O4/c1-2-23-17(21)11-16(19)15-9-6-10-20(12-15)18(22)24-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,19H2,1H3
3.InChIKey: PRUMDYGQYNISOT-UHFFFAOYAM

Product Name

3-AMINO-3-(3'-CBZ)PIPERIDINE-PROPIONIC ACID ETHYL ESTER

3-Piperidinepropanoic acid, β-amino-1-[(phenylmethoxy)carbonyl]-, ethyl ester Specification

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