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3-Amino-3-(4'-Cbz)piperidine-propionic acid ethyl ester

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Name

3-Amino-3-(4'-Cbz)piperidine-propionic acid ethyl ester

EINECS N/A
CAS No. 886362-29-4 Density 1.16g/cm3
PSA 81.86000 LogP 2.95390
Solubility N/A Melting Point N/A
Formula C18H26N2O4 Boiling Point 472.8oC at 760 mmHg
Molecular Weight 334.41 Flash Point 239.7oC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 886362-29-4 (3-Amino-3-(4'-Cbz)piperidine-propionic acid ethyl ester) Hazard Symbols N/A
Synonyms

Ethyl 3-(4-Cbz)piperidine-3-aminopropionate;3-Amino-3-(4-Cbz)piperidine-propionic acid ethyl ester

 

3-Amino-3-(4'-Cbz)piperidine-propionic acid ethyl ester Specification

The 3-Amino-3-(4'-Cbz)piperidine-propionic acid ethyl ester with cas registry number of 886362-29-4, its IUPAC name is benzyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate. And it is also called Ethyl 3-(4'-Cbz)piperidine-3-aminopropionate.

Physical properties about this chemical are: (1)XLogP3-AA: 1.7; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 5; (4)Rotatable Bond Count: 8; (5)Exact Mass: 334.189257; (6)MonoIsotopic Mass: 334.189257; (7)Topological Polar Surface Area: 81.9; (8)Heavy Atom Count: 24; (9)Formal Charge: 0; (10)Complexity: 402; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure: 
(1)SMILES: CCOC(=O)CC(C1CCN(CC1)C(=O)OCC2=CC=CC=C2)N;
(2)InChI: InChI=1S/C18H26N2O4/c1-2-23-17(21)12-16(19)15-8-10-20(11-9-15)18(22)24-13-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13,19H2,1H3;
(3)InChIKey: FKAQMJZSCMEXOB-UHFFFAOYSA-N.

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