Basic information
- CAS
63979-55-5- Standard SMILES
Oc1ccc(Nc2ccc(N(CCCl)CCCl)cc2)cc1- InChIKey
QTRIPCQTYTUXNE-UHFFFAOYSA-N- Molecular formula
- C16H18Cl2N2O
- Average molar mass
- 325.2 g/mol
- Monoisotopic mass
- 324.0796186
Names & identifiers
- Preferred name
- Diphenylamine, 4'-(bis(2''-chloroethyl)amino)-4-hydroxy-
- IUPAC
- 4-[4-[bis(2-chloroethyl)amino]anilino]phenol
- English name
- 4-[[4-[Bis(2-chloroethyl)amino]phenyl]amino]phenol
- Molecular formula
- C16H18Cl2N2O
- Molecular weight
- 325.23
Names & synonyms
63979-55-5DIPHENYLAMINE, 4'-(BIS(2''-CHLOROETHYL)AMINO)-4-HYDROXY-4-(Di-2''-chloroethylaminophenyl)-3,5-dimethylquinoneimineDTXSID40213834RefChem:338967DTXCID70136325DB-3248584-{4-[Bis(2-chloroethyl)amino]anilino}phenol4-[[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL ]AMINO]PHENOL4-[[4-[Bis(2-chloroethyl)amino]phenyl]amino]phenolPhenol, 4-[[4-[bis(2-chloroethyl)amino]phenyl]amino]-
Database identifiers
- CAS
63979-55-5- PubChem CID
- 45923
- DTXSID
DTXSID40213834- Nikkaji
- J87.537F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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