2-Anilinocyclohexanone - CAS 4504-43-2
Catalog: |
BB025754 |
Product Name: |
2-Anilinocyclohexanone |
CAS: |
4504-43-2 |
Synonyms: |
2-anilinocyclohexan-1-one |
IUPAC Name: | 2-anilinocyclohexan-1-one |
Description: | 2-Anilinocyclohexanone (CAS# 4504-43-2) is a useful research chemical. |
Molecular Weight: | 189.25 |
Molecular Formula: | C12H15NO |
Canonical SMILES: | C1CCC(=O)C(C1)NC2=CC=CC=C2 |
InChI: | InChI=1S/C12H15NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2 |
InChI Key: | AWMZFBYYIATTOW-UHFFFAOYSA-N |
Boiling Point: | 346 °C at 760 mmHg |
Density: | 1.127 g/cm3 |
LogP: | 2.68320 |
Publication Number | Title | Priority Date |
BR-PI0806796-A2 | cyclohexane derivatives spiro cyclic | 20070222 |
WO-2005080318-A1 | PROCESSES FOR PRODUCTION OF α-AMINOOXYKETONES AND α-HYDROXYKETONES | 20040220 |
EP-0214009-A2 | Enaminones as potential prodrugs of primary and secondary amines | 19850730 |
US-3687969-A | 9-aroyl-1,2,3,4-tetrahydrocarbazole-3,3-dicarboxylic acids | 19700602 |
US-3758496-A | Benzyl 1,2,3,4-tetrahydrocarbazole-3 or 4-carboxylates | 19700602 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.115364102 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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