3-N-Boc-amino-3-(3'-Cbz)piperidine-propionic acid ethyl ester supplier

Name
3-N-Boc-amino-3-(3'-Cbz)piperidine-propionic acid ethyl ester
EINECS
CAS No. 886362-36-3
Density 1.204 g/cm³
Solubility
Melting Point
Formula C₂₁H₃₀N₂O₆
Boiling Point 581.9 °C at 760 mmHg
Molecular Weight 406.48
Flash Point 305.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-{1-[(Benzyloxy)carbonyl]piperidin-3-yl}-3-[(tert-butoxycarbonyl)amino]propanoic acid;3-N-Boc-amino-3-(3'-Cbz)piperidine-propionic acid;3-Piperidinepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-1-[(phenylmethoxy)carbonyl]-;
PSA 105.17000
LogP 3.73200

3-N-Boc-amino-3-(3'-Cbz)piperidine-propionic acid ethyl ester Specification

The 3-N-Boc-amino-3-(3'-Cbz)piperidine-propionic acid ethyl ester, with the CAS registry number 886362-36-3, is also known as 3-Piperidinepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-1-[(phenylmethoxy)carbonyl]-. This chemical's molecular formula is C₂₁H₃₀N₂O₆ and molecular weight is 406.48. What's more, its systematic name is 3-(1-benzyloxycarbonyl-3-piperidyl)-3-(tert-butoxycarbonylamino)propanoic acid.

Physical properties of 3-N-Boc-amino-3-(3'-Cbz)piperidine-propionic acid ethyl ester are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 0.05; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 105.17 Å²; (9)Index of Refraction: 1.54; (10)Molar Refractivity: 105.99 cm³; (11)Molar Volume: 337.4 cm³; (12)Polarizability: 42.01×10^-24cm³; (13)Surface Tension: 49.5 dyne/cm; (14)Density: 1.204 g/cm³; (15)Flash Point: 305.7 °C; (16)Enthalpy of Vaporization: 91.51 kJ/mol; (17)Boiling Point: 581.9 °C at 760 mmHg; (18)Vapour Pressure: 2.22E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCCC(C2)C(CC(O)=O)NC(=O)OC(C)(C)C
(2)Std. InChI: InChI=1S/C21H30N2O6/c1-21(2,3)29-19(26)22-17(12-18(24)25)16-10-7-11-23(13-16)20(27)28-14-15-8-5-4-6-9-15/h4-6,8-9,16-17H,7,10-14H2,1-3H3,(H,22,26)(H,24,25)
(3)Std. InChIKey: AMYNHEBCBXEIAG-UHFFFAOYSA-N

Product Name

3-N-Boc-amino-3-(3'-Cbz)piperidine-propionic acid ethyl ester

3-N-Boc-amino-3-(3'-Cbz)piperidine-propionic acid ethyl ester Specification

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