1-Boc-4-oxopiperidine-3-carbonitrile - CAS 914988-10-6
Catalog: |
BB040217 |
Product Name: |
1-Boc-4-oxopiperidine-3-carbonitrile |
CAS: |
914988-10-6 |
Synonyms: |
3-cyano-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-cyano-4-oxopiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-cyano-4-oxopiperidine-1-carboxylate |
Description: | 1-Boc-4-oxopiperidine-3-carbonitrile (CAS# 914988-10-6) is a useful research reagent for organic synthesis and other chemical processes. |
Molecular Weight: | 224.26 |
Molecular Formula: | C11H16N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=O)C(C1)C#N |
InChI: | InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8H,4-5,7H2,1-3H3 |
InChI Key: | VPFTZTMJPFIRAN-UHFFFAOYSA-N |
Boiling Point: | 375.1 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD11109814 |
LogP: | 1.27398 |
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, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354644-A | Pyrazolopyrimidine structure compound used as DPP-IV inhibitor and application thereof | 20200304 |
US-2019300526-A1 | PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS | 20180402 |
CN-111954525-A | Prodrugs of fused bicyclic C5aR antagonists | 20180402 |
KR-20200139751-A | Prodrugs of fused-bicyclic C5aR antagonists | 20180402 |
US-2021052612-A1 | PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS | 20180402 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.11609238 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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