tert-Butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate - CAS 135716-09-5
Catalog: |
BB008238 |
Product Name: |
tert-Butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate |
CAS: |
135716-09-5 |
Synonyms: |
tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate |
Description: | tert-Butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (CAS# 135716-09-5) is a useful research chemical. |
Molecular Weight: | 271.35 |
Molecular Formula: | C14H25NO4 |
Canonical SMILES: | CCOC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C14H25NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3 |
InChI Key: | PQEXLIRUMIRSAL-UHFFFAOYSA-N |
Purity: | 97.0 % |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD08275143 |
LogP: | 2.52460 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501 |
Signal Word: | Warning |
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WO-2021187605-A1 | NITROGEN-CONTAINING HETEROCYCLIC α-CYANO CARBONYL COMPOUND | 20200319 |
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PMID | Publication Date | Title | Journal |
15521769 | 20041110 | Detection of transient radical cations in electron transfer-initiated Diels-Alder reactions by electrospray ionization mass spectrometry | Journal of the American Chemical Society |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.17835828 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.17835828 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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