Basic information
- CAS
64048-66-4- Standard SMILES
CC1=CC(=O)C=CC1=Nc1ccc(N(CCCl)CCCl)cc1- InChIKey
LFWSLDLFKNVKPN-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N2O
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 336.0796186
Names & identifiers
- Preferred name
- p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-
- IUPAC
- 4-[4-[bis(2-chloroethyl)amino]phenyl]imino-3-methylcyclohexa-2,5-dien-1-one
- English name
- 4-[[4-[Bis(2-chloroethyl)amino]phenyl]imino]-3-methyl-2,5-cyclohexadien-1-one
- Molecular formula
- C17H18Cl2N2O
- Molecular weight
- 337.24
Names & synonyms
64048-66-4p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3-methyl-RefChem:1094165N-(4'-Di-2''-chloroethylaminophenyl)-3-methylbenzoquinoneimineNSC2606544-[4-[bis(2-chloroethyl)amino]phenyl]imino-3-methylcyclohexa-2,5-dien-1-oneDTXSID801385063NSC 260654NSC-2606544-[[4-[Bis(2-chloroethyl)amino]phenyl]imino]-3-methyl-2,5-cyclohexadien-1-oneDB-3054242, 4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-3-methyl-
Show more names
2,5-Cyclohexadien-1-one, 4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-3-methyl-
Database identifiers
- CAS
64048-66-4- PubChem CID
- 99908
- DTXSID
DTXSID801385063
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…