Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride - CAS 52763-21-0
Catalog: |
BB027933 |
Product Name: |
Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride |
CAS: |
52763-21-0 |
Synonyms: |
ethyl 1-benzyl-3-oxopiperidine-4-carboxylate;hydrochloride |
IUPAC Name: | ethyl 1-benzyl-3-oxopiperidine-4-carboxylate;hydrochloride |
Description: | Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride (CAS# 52763-21-0) is a useful research chemical. |
Molecular Weight: | 297.78 |
Molecular Formula: | C15H19NO3 · HCl |
Canonical SMILES: | CCOC(=O)C1CCN(CC1=O)CC2=CC=CC=C2.Cl |
InChI: | InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H |
InChI Key: | UQOMEAWPKSISII-UHFFFAOYSA-N |
Boiling Point: | 368.6 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.154 g/cm3 |
MDL: | MFCD00012792 |
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 |
CN-112142735-A | Condensed cyanopyridine compound, preparation method and application | 20200409 |
CN-112142735-B | Condensed cyanopyridine compound, preparation method and application | 20200409 |
KR-20210091063-A | Novel pyrazole derivatives | 20200113 |
WO-2021145655-A1 | Novel pyrazole derivative | 20200113 |
CN-112094269-A | Saturated six-membered ring heterocyclic compound, preparation method and application | 20200101 |
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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