2-[(Dimethylamino)methylene]-1,3-cyclohexanedione
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2-[(Dimethylamino)methylene]-1,3-cyclohexanedione
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CAS No:
85302-07-4
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Formula:
C9H13NO2
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Chemical Name:
2-[(Dimethylamino)methylene]-1,3-cyclohexanedione
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Synonyms:
1,3-Cyclohexanedione,2-[(dimethylamino)methylene]-;2-[(Dimethylamino)methylene]-1,3-cyclohexanedione;NSC 620164;2-((Dimethylamino)methylene)cyclohexan-1,3-dione;2-[(Dimethylamino)methylidene]cyclohexane-1,3-dione;2-(Dimethylaminomethylidene)cyclohexane-1,3-dione
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CAS No:
2-[(Dimethylamino)methylene]-1,3-cyclohexanedione Basic Attributes
167.21
167.21
620164
DTXSID30326881
Characteristics
37.4 Ų
1.190±0.06 g/cm3
116 °C @ Solvent: Chloroform, Ligroine
274.5±40.0 °C(Predicted)
3.11±0.20
Safety Information
22
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:167.20
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:167.094628657
Monoisotopic Mass:167.094628657
Topological Polar Surface Area:37.4
Heavy Atom Count:12
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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