Basic information
- CAS
64048-64-2- Standard SMILES
O=C1C=CC(=Nc2ccc(N(CCCl)CCCl)cc2)C=C1- InChIKey
LUKFYERPDCANBJ-UHFFFAOYSA-N- Molecular formula
- C16H16Cl2N2O
- Average molar mass
- 323.2 g/mol
- Monoisotopic mass
- 322.0639685
Names & identifiers
- Preferred name
- p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-
- IUPAC
- 4-[4-[bis(2-chloroethyl)amino]phenyl]iminocyclohexa-2,5-dien-1-one
- English name
- 4-[[4-[Bis(2-chloroethyl)amino]phenyl]imino]-2,5-cyclohexadien-1-one
- Molecular formula
- C16H16Cl2N2O
- Molecular weight
- 323.22
Names & synonyms
64048-64-2p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-N-(4'-Di-2''-chloroethylaminophenyl)benzoquinoneimineDTXSID60214146NSC 260638RefChem:367604DTXCID601366374-({4-[bis(2-chloroethyl)amino]phenyl}imino)cyclohexa-2,5-dien-1-oneNSC2606384-[[4-[Bis(2-chloroethyl)amino]phenyl]imino]-2,5-cyclohexadien-1-oneNSC-260638DB-305422
Show more names
N,N-Bis(2-chloroethyl)indoaniline2,5-Cyclohexadien-1-one, 4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-
2, 4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-
Database identifiers
- CAS
64048-64-2- PubChem CID
- 99907
- DTXSID
DTXSID60214146- Nikkaji
- J65.455H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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