Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride - CAS 1454-53-1
Catalog: |
BB009945 |
Product Name: |
Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride |
CAS: |
1454-53-1 |
Synonyms: |
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride |
IUPAC Name: | ethyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride |
Description: | Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (CAS# 1454-53-1) is a useful research chemical. |
Molecular Weight: | 297.78 |
Molecular Formula: | C15H19NO3 · HCl |
Canonical SMILES: | CCOC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl |
InChI: | InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H |
InChI Key: | YPFMNHZRNXPYBG-UHFFFAOYSA-N |
Boiling Point: | 379.7 °C at 760 mmHg |
Melting Point: | 160-170 °C |
Purity: | 95 % |
Appearance: | Beige crystalline powder. |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00012800 |
LogP: | 2.38060 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210091063-A | Novel pyrazole derivatives | 20200113 |
WO-2021145655-A1 | Novel pyrazole derivative | 20200113 |
WO-2019238424-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of diseases | 20180615 |
TW-202015677-A | Novel compounds for treating diseases and their pharmaceutical compositions | 20180615 |
BR-112020025202-A2 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME FOR THE TREATMENT OF DISEASES | 20180615 |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.1131712 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.1131712 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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