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CAS No.: | 886362-29-4 |
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Name: | 3-Amino-3-(4'-Cbz)piperidine-propionic acid ethyl ester |
Molecular Structure: | |
Formula: | C18H26N2O4 |
Molecular Weight: | 334.41 |
Synonyms: | Ethyl 3-(4-Cbz)piperidine-3-aminopropionate;3-Amino-3-(4-Cbz)piperidine-propionic acid ethyl ester |
Density: | 1.16g/cm3 |
Boiling Point: | 472.8oC at 760 mmHg |
Flash Point: | 239.7oC |
PSA: | 81.86000 |
LogP: | 2.95390 |
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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.