Ethyl 1-benzyl-pyrrolidine-3-carboxylate - CAS 5747-92-2
Catalog: |
BB029714 |
Product Name: |
Ethyl 1-benzyl-pyrrolidine-3-carboxylate |
CAS: |
5747-92-2 |
Synonyms: |
ethyl 1-benzylpyrrolidine-3-carboxylate |
IUPAC Name: | ethyl 1-benzylpyrrolidine-3-carboxylate |
Description: | Ethyl 1-benzyl-pyrrolidine-3-carboxylate (CAS# 5747-92-2) is a useful research chemical. |
Molecular Weight: | 233.31 |
Molecular Formula: | C14H19NO2 |
Canonical SMILES: | CCOC(=O)C1CCN(C1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C14H19NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3 |
InChI Key: | CYPXEPWPTXKUPL-UHFFFAOYSA-N |
Boiling Point: | 308.887 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.099 g/cm3 |
MDL: | MFCD04039852 |
LogP: | 2.00950 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021121327-A1 | Substituted straight chain spiro derivatives | 20191219 |
CN-109232350-A | A method of preparing N-Boc-3- pyrrolidine formaldehyde | 20181025 |
TW-201946629-A | MAT2A heterobicyclic inhibitor and method for treating cancer | 20180330 |
WO-2019191470-A1 | Heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20180330 |
CN-111936499-A | Heterobicyclic inhibitors of MAT2A and methods for treating cancer | 20180330 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.141578849 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Pyrrolidines
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