4-[(E)-[4-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]piperazin-1-yl]iminomethyl]-N,N-bis(2-chloroethyl)aniline
Basic information
- CAS
21323-34-2- Standard SMILES
ClCCN(CCCl)c1ccc(/C=N/N2CCN(/N=C/c3ccc(N(CCCl)CCCl)cc3)CC2)cc1- InChIKey
YVQPPPUFCBWGDQ-RWRHWQIFSA-N- Molecular formula
- C26H34Cl4N6
- Average molar mass
- 572.4 g/mol
- Monoisotopic mass
- 570.159906
Names & identifiers
- Preferred name
- 4-[(E)-[4-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]piperazin-1-yl]iminomethyl]-N,N-bis(2-chloroethyl)aniline
- IUPAC
- 4-[(E)-[4-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]piperazin-1-yl]iminomethyl]-N,N-bis(2-chloroethyl)aniline
Names & synonyms
NSC108560NSC-108560
Database identifiers
- CAS
21323-34-2- PubChem CID
- 9568451
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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