Methyl 3-Methyl-4-oxopiperidine-1-carboxylate - CAS 31633-72-4
Catalog: |
BB021006 |
Product Name: |
Methyl 3-Methyl-4-oxopiperidine-1-carboxylate |
CAS: |
31633-72-4 |
Synonyms: |
3-methyl-4-oxo-1-piperidinecarboxylic acid methyl ester; methyl 3-methyl-4-oxopiperidine-1-carboxylate |
IUPAC Name: | methyl 3-methyl-4-oxopiperidine-1-carboxylate |
Description: | Methyl 3-Methyl-4-oxopiperidine-1-carboxylate (CAS# 31633-72-4) is a useful research chemical. |
Molecular Weight: | 171.19 |
Molecular Formula: | C8H13NO3 |
Canonical SMILES: | CC1CN(CCC1=O)C(=O)OC |
InChI: | InChI=1S/C8H13NO3/c1-6-5-9(8(11)12-2)4-3-7(6)10/h6H,3-5H2,1-2H3 |
InChI Key: | JWXGBLNGCIGLBH-UHFFFAOYSA-N |
Boiling Point: | 263.7 ℃ at 760 mmHg |
Density: | 1.129 g/cm3 |
MDL: | MFCD09838568 |
LogP: | 0.60160 |
Publication Number | Title | Priority Date |
AU-2009324210-A1 | Pyrrolopyrazinyl urea kinase inhibitors | 20081205 |
CA-2744507-A1 | Pyrrolopyrazinyl urea kinase inhibitors | 20081205 |
EP-2373653-A1 | Pyrrolopyrazinyl urea kinase inhibitors | 20081205 |
EP-2373653-B1 | Pyrrolopyrazinyl urea kinase inhibitors | 20081205 |
ES-2464458-T3 | Pyrrolopyrazinyl ureas as kinase inhibitors | 20081205 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.08954328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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