2-(Dimethylaminomethylene)cyclohexanone - CAS 6135-19-9
Catalog: |
BB067084 |
Product Name: |
2-(Dimethylaminomethylene)cyclohexanone |
CAS: |
6135-19-9 |
Synonyms: |
2-[(Dimethylamino)methylene]cyclohexanone |
IUPAC Name: | 2-(dimethylaminomethylidene)cyclohexan-1-one |
Description: | 2-(Dimethylaminomethylene)cyclohexanone is an intermediate in the synthesis of 2-Pentylidenecyclohexanone (P280255), a fragrance chemical. It can also be used in the synthesis of dialkylphenols in the presence of zirconium catalyst. |
Molecular Weight: | 153.22 |
Molecular Formula: | C9H15NO |
Canonical SMILES: | CN(C)C=C1CCCCC1=O |
InChI: | InChI=1S/C9H15NO/c1-10(2)7-8-5-3-4-6-9(8)11/h7H,3-6H2,1-2H3 |
InChI Key: | UQRGFCOZZZCUDG-UHFFFAOYSA-N |
Solubility: | Chloroform, DCM, Methanol |
Appearance: | Beige Solid |
References: | Tetsuo, B. et al. Kenkyu Hokoku - Asahi Garasu Zaidan, 58, 201 (1991); Hostynek, J. J., et al. Toxicology in Vitro, 11, 377 (1997). |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.115364102 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 1.3 |
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