4-Acetamidocyclohexanone - CAS 27514-08-5
Catalog: |
BB019599 |
Product Name: |
4-Acetamidocyclohexanone |
CAS: |
27514-08-5 |
Synonyms: |
N-(4-oxocyclohexyl)acetamide |
IUPAC Name: | N-(4-oxocyclohexyl)acetamide |
Description: | 4-Acetamidocyclohexanone (CAS# 27514-08-5) is a metabolite of (trans-N-(4-nitroxycyclohexyl)acetamide (CAS 137213-91-3). N-(4-Oxocyclohexyl)acetamide has been used as a reactant in the preparation of 2-Pyrimidinecarbonitrile derivatives as falcipain inhibitors and antiparasitic agents. |
Molecular Weight: | 155.19 |
Molecular Formula: | C8H13NO2 |
Canonical SMILES: | CC(=O)NC1CCC(=O)CC1 |
InChI: | InChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10) |
InChI Key: | WZEMYWNHKFIVKE-UHFFFAOYSA-N |
Boiling Point: | 359.086 °C at 760 mmHg |
Melting Point: | 137 °C |
Purity: | 98 % |
Density: | 1.071 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD03703462 |
LogP: | 1.02510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113004341-A | PNO ligand containing chiral ferrocene and axial chiral biphenol and application thereof | 20210308 |
CN-111748048-A | Preparation method of modified chitosan acidizing corrosion inhibitor | 20200803 |
CN-111748048-B | Preparation method of modified chitosan acidizing corrosion inhibitor | 20200803 |
CN-111018805-A | Synthesis and separation method of pramipexole intermediate | 20191226 |
CN-110734413-A | Preparation method of pramipexole intermediates 2, 6-diamino-4, 5,6, 7-tetrahydrobenzothiazole | 20191202 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.094628657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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