Basic information
- CAS
63979-56-6- Standard SMILES
Cc1cc(Nc2ccc(N(CCCl)CCCl)cc2)cc(C)c1O- InChIKey
OYZRSIFCXNQYLX-UHFFFAOYSA-N- Molecular formula
- C18H22Cl2N2O
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 352.1109187
Names & identifiers
- Preferred name
- Diphenylamine, 4-(bis(2-chloroethyl)amino)-4-hydroxy-3,5-dimethyl-
- IUPAC
- 4-[4-[bis(2-chloroethyl)amino]anilino]-2,6-dimethylphenol
- English name
- 4-[[4-[Bis(2-chloroethyl)amino]phenyl]amino]-2,6-dimethylphenol
- Molecular formula
- C18H22Cl2N2O
- Molecular weight
- 353.29
Names & synonyms
63979-56-64'-(Di-2''-chloroethylamino)-4-hydroxy-3,5-dimethyldiphenylamineDIPHENYLAMINE, 4-(BIS(2-CHLOROETHYL)AMINO)-4-HYDROXY-3,5-DIMETHYL-DTXSID00213835RefChem:338969DTXCID30136326DB-3054204-{4-[Bis(2-chloroethyl)amino]anilino}-2,6-dimethylphenol4-[[4-[Bis(2-chloroethyl)amino]phenyl ]amino]-2,6-dimethylphenol4-[[4-[Bis(2-chloroethyl)amino]phenyl]amino]-2,6-dimethylphenolPhenol, 4-[[4-[bis(2-chloroethyl)amino]phenyl]amino]-2,6-dimethyl-
Database identifiers
- CAS
63979-56-6- PubChem CID
- 45924
- DTXSID
DTXSID00213835- Nikkaji
- J87.538D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 491 · 491.0±45.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 11.77 · 11.77±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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