1-Boc-4-[[(methylsulfonyl)oxy]methyl]piperidine - CAS 161975-39-9
Catalog: |
BB011808 |
Product Name: |
1-Boc-4-[[(methylsulfonyl)oxy]methyl]piperidine |
CAS: |
161975-39-9 |
Synonyms: |
4-(methylsulfonyloxymethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate |
Description: | 1-Boc-4-[[(methylsulfonyl)oxy]methyl]piperidine (CAS# 161975-39-9) is a useful research chemical. |
Molecular Weight: | 293.38 |
Molecular Formula: | C12H23NO5S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)C |
InChI: | InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-10(6-8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3 |
InChI Key: | RXNQBVRCZIYUJK-UHFFFAOYSA-N |
Boiling Point: | 418.8 °C at 760 mmHg |
Density: | 1.175 g/cm3 |
Appearance: | White to light yellow crystalline powder or powder |
MDL: | MFCD02082459 |
LogP: | 2.62840 |
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 |
WO-2021123145-A1 | Sigma-1 receptor ligands and uses thereof | 20191219 |
WO-2021104461-A1 | Diazaindole derivative and use thereof as chk1 inhibitor | 20191129 |
WO-2021080359-A1 | Bicyclic compound and use thereof | 20191023 |
KR-20210039968-A | Bicyclic compound and use thereof | 20191002 |
US-2021101892-A1 | Bicyclic compound and use thereof | 20191002 |
Complexity: | 399 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.12969401 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.12969401 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 81.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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