2,5-Bis(dimethylamino)-2,5-cyclohexadiene-1,4-dione
Basic information
- CAS
1521-02-4- Standard SMILES
CN(C)C1=CC(=O)C(N(C)C)=CC1=O- InChIKey
BZZIJKWURTYMLH-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,5-Bis(dimethylamino)-2,5-cyclohexadiene-1,4-dione
- IUPAC
- 2,5-bis(dimethylamino)cyclohexa-2,5-diene-1,4-dione
- English name
- p-Benzoquinone, 2,5-bis(dimethylamino)- (8CI)
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
1521-02-42,5-Bis(dimethylamino)-1,4-benzoquinone2,5-Bis(dimethylamino)-p-benzoquinonep-Benzoquinone, 2,5-bis(dimethylamino)-Y9SJ4XHB2D2,5-cyclohexadiene-1,4-dione, 2,5-bis(dimethylamino)-NSC-660422,5-Bis(dimethylamino)-2,5-cyclohexadiene-1,4-dioneDTXSID00164954RefChem:827152,5-BDBQDTXCID5087445
Show more names
2,5-bis(dimethylamino)cyclohexa-2,5-diene-1,4-dionep-Benzoquinone, 2,5-bis(dimethylamino)- (8CI)2,5-bis(dimethylamino)benzo-1,4-quinoneNSC 66042BRN 2211414NCIOpen2_000066AI3-509041,4-Benzoquinone, 2,5-bis(dimethylamino)-
Database identifiers
- CAS
1521-02-4- PubChem CID
- 96304
- DTXSID
DTXSID00164954- ChEMBL
CHEMBL162988- UNII
- Y9SJ4XHB2D
- Nikkaji
- J40.565E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
LogP1.03
Physicochemical properties
- Melting point
- 171 · 171-172 °C
- Boiling point
- 289 · 289.0±40.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 2.04 · 2.04±0.20(Predicted)
- FDA UNII
- 9 SJ4XHB2D · Y9SJ4XHB2D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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