3-(Dimethylamino)-5,5-dimethyl-2-cyclohexen-1-one - CAS 31039-88-0
Catalog: |
BB020784 |
Product Name: |
3-(Dimethylamino)-5,5-dimethyl-2-cyclohexen-1-one |
CAS: |
31039-88-0 |
Synonyms: |
3-(dimethylamino)-5,5-dimethylcyclohex-2-en-1-one |
IUPAC Name: | 3-(dimethylamino)-5,5-dimethylcyclohex-2-en-1-one |
Description: | 3-(Dimethylamino)-5,5-dimethyl-2-cyclohexen-1-one (CAS# 31039-88-0 ) is a useful research chemical. |
Molecular Weight: | 167.25 |
Molecular Formula: | C10H17NO |
Canonical SMILES: | CC1(CC(=CC(=O)C1)N(C)C)C |
InChI: | InChI=1S/C10H17NO/c1-10(2)6-8(11(3)4)5-9(12)7-10/h5H,6-7H2,1-4H3 |
InChI Key: | XHNTVKASLQLNFM-UHFFFAOYSA-N |
Boiling Point: | 233 °C at 760 mmHg |
Melting Point: | 95-96 °C(lit.) |
Purity: | 95 % |
Density: | 0.96 g/cm3 |
MDL: | MFCD00134485 |
LogP: | 1.82100 |
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 |
US-2016332981-A1 | 3-aryl-4h-chromene-4-ones as antineoplastic agents for the treatment of cancer | 20150511 |
US-9718799-B2 | 3-aryl-4H-chromene-4-ones as antineoplastic agents for the treatment of cancer | 20150511 |
WO-2016183157-A1 | 3-aryl-4h-chromene-4-ones as antineoplastic agents for the treatment of cancer | 20150511 |
CN-107667100-B | Antitumor 3-aryl-4H-chromen-4-ones for the treatment of cancer | 20150511 |
CN-113185486-A | Antitumor 3-aryl-4H-chromen-4-ones for the treatment of cancer | 20150511 |
PMID | Publication Date | Title | Journal |
16872188 | 20060804 | Photoactivation of amino-substituted 1,4-benzoquinones for release of carboxylate and phenolate leaving groups using visible light | The Journal of organic chemistry |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.131014166 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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