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Basic Information
CAS No.: 848413-99-0
Name: 1-Cbz-Pyrrolidine-3-carboxylic acid ethyl ester
Molecular Structure:
Molecular Structure of 848413-99-0 (1-Cbz-Pyrrolidine-3-carboxylic acid ethyl ester)
Formula: C15H19NO4
Molecular Weight: 277.32
Synonyms: 1-O-benzyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;3-ethyl 1-phenyl pyrrolidine-1,3-dicarboxylate;
Density: 1.194±0.06 g/cm3(Predicted)
Boiling Point: 388.5±42.0 °C(Predicted)
PSA: 55.84000
LogP: 2.14610
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Specification

The 1-Cbz-Pyrrolidine-3-carboxylic acid ethyl ester, with the CAS registry number 848413-99-0, has the IUPAC name of 1-O-benzyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate. And the molecular formula of this chemical is C15H19NO4. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 1-Cbz-Pyrrolidine-3-carboxylic acid ethyl ester are as following: (1)XLogP3-AA: 2; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 6; (5)Exact Mass: 277.131408; (6)MonoIsotopic Mass: 277.131408; (7)Topological Polar Surface Area: 55.8; (8)Heavy Atom Count: 20; (9)Formal Charge: 0; (10)Complexity: 339; (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; (17)Feature 3D Acceptor Count: 2; (18)Feature 3D Ring Count: 2; (19)Effective Rotor Count: 8; (20)Conformer Sampling RMSD: 1; (21)CID Conformer Count: 113.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C1CCN(C1)C(=O)OCC2=CC=CC=C2
(2)InChI: InChI=1S/C15H19NO4/c1-2-19-14(17)13-8-9-16(10-13)15(18)20-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
(3)InChIKey: PXTGBVCFUXOCMF-UHFFFAOYSA-N