N-Boc-4-ethynylpiperidine - CAS 287192-97-6
Catalog: |
BB019924 |
Product Name: |
N-Boc-4-ethynylpiperidine |
CAS: |
287192-97-6 |
Synonyms: |
4-ethynyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-ethynylpiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-ethynylpiperidine-1-carboxylate |
Description: | N-Boc-4-ethynylpiperidine (CAS# 287192-97-6) is a useful research chemical. |
Molecular Weight: | 209.28 |
Molecular Formula: | C12H19NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)C#C |
InChI: | InChI=1S/C12H19NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3 |
InChI Key: | INUWDZDWSJJFSQ-UHFFFAOYSA-N |
Boiling Point: | 269.583 °C at 760 mmHg |
Density: | 1.026 g/cm3 |
MDL: | MFCD09038026 |
LogP: | 2.20460 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121510-A | Naphthofuran o-quinone compound, preparation method and application thereof, antitumor pharmaceutical composition and antibacterial pharmaceutical composition | 20210326 |
WO-2021203023-A1 | Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
WO-2021170109-A1 | Tropomyosin receptor kinase (trk) degradation compounds and methods of use | 20200226 |
WO-2021161105-A1 | P2x3 modulators | 20200214 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.141578849 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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