1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-
Basic information
- CAS
5424-68-0- Standard SMILES
CCN(CC)Cc1cc(O)c(CN(CC)CC)cc1O- InChIKey
NVTLOLOYAHYCBL-UHFFFAOYSA-N- Molecular formula
- C16H28N2O2
- Average molar mass
- 280.41 g/mol
- Monoisotopic mass
- 280.21507814
Names & identifiers
- Preferred name
- 1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-
- IUPAC
- 2,5-bis(diethylaminomethyl)benzene-1,4-diol
Names & synonyms
5424-68-02,5-Bis[(diethylamino)methyl]-1,4-benzenediol1,4-Benzenediol, 2,5-bis((diethylamino)methyl)-BRN 2810175Hydroquinone, 2,5-bis((diethylamino)methyl)-2,5-Bis((diethylamino)methyl)-1,4-benzenediolDTXSID702025943-13-00-02247 (Beilstein Handbook Reference)NSC 12253RefChem:220041DTXCID001250852,5-bis(diethylaminomethyl)benzene-1,4-diol
Show more names
2,5-bis[(diethylamino)methyl]benzene-1,4-diolNSC12253MLS0007615182,5-bis(diethylaminomethyl)hydroquinoneSMR000371626Enamine_002288Oprea1_146077Oprea1_410116
Database identifiers
- CAS
5424-68-0- PubChem CID
- 94986
- DTXSID
DTXSID70202594- ChEMBL
CHEMBL1451059
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
Solubility>42.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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