2-((3,4-Dichloro-phenylimino)-methyl)-5-diethylamino-phenol
Basic information
- CAS
303762-18-7- Standard SMILES
CCN(CC)c1ccc(C=Nc2ccc(Cl)c(Cl)c2)c(O)c1- InChIKey
MJCCPDRACCGOHT-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N2O
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 336.0796186
Names & identifiers
- Preferred name
- 2-((3,4-Dichloro-phenylimino)-methyl)-5-diethylamino-phenol
- IUPAC
- 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
- English name
- 2-{[(3,4-dichlorophenyl)imino]methyl}-5-(diethylamino)phenol
- Molecular formula
- C17H18Cl2N2O
- Molecular weight
- 337.24
Names & synonyms
Oprea1_108314Oprea1_555625STK011876AKOS000484423ST0359832-((3,4-DICHLORO-PHENYLIMINO)-METHYL)-5-DIETHYLAMINO-PHENOL2-{(E)-[(3,4-dichlorophenyl)imino]methyl}-5-(diethylamino)phenol2-[(1E)-2-(3,4-dichlorophenyl)-2-azavinyl]-5-(diethylamino)phenol2-{[(3,4-dichlorophenyl)imino]methyl}-5-(diethylamino)phenol
Database identifiers
- CAS
303762-18-7- PubChem CID
- 693567
- EC Number
- 168-096-8
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 508.838 · 508.838±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.209 · 1.209±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.156 · 8.156±0.35(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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