Basic Information | Post buying leads | Suppliers |
Name |
3-Amino-3-(2'-Cbz)piperidine-propionic acid ethyl ester |
EINECS | N/A |
CAS No. | 886362-39-6 | Density | 1.16 g/cm3 |
PSA | 81.86000 | LogP | 3.09640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H26N2O4 | Boiling Point | 472.8 °C at 760 mmHg |
Molecular Weight | 334.41 | Flash Point | 239.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzyl 2-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;2-Piperidinepropanoic acid, β-amino-1-[(phenylmethoxy)carbonyl]-, ethyl ester; |
The 3-Amino-3-(2'-Cbz)piperidine-propionic acid ethyl ester, with the CAS registry number 886362-39-6, is also known as 2-Piperidinepropanoic acid, β-amino-1-[(phenylmethoxy)carbonyl]-, ethyl ester. This chemical's molecular formula is C18H26N2O4 and molecular weight is 334.41. What's more, its systematic name is benzyl 2-(1-amino-3-ethoxy-3-oxo-propyl)piperidine-1-carboxylate.
Physical properties of 3-Amino-3-(2'-Cbz)piperidine-propionic acid ethyl ester are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.06; (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)N2CCCCC2C(N)CC(=O)OCC
(2)Std. InChI: InChI=1S/C18H26N2O4/c1-2-23-17(21)12-15(19)16-10-6-7-11-20(16)18(22)24-13-14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13,19H2,1H3
(3)Std. InChIKey: LMHWUCOFJHJIFA-UHFFFAOYSA-N