Basic information
- CAS
69837-10-1- Standard SMILES
CN(C)c1ccc2cc3ccc(N(C)C)c(C=Nc4ccc(N(CCCl)CCCl)cc4)c3nc2c1C=O- InChIKey
QPBOLGKUCZUGLH-UHFFFAOYSA-N- Molecular formula
- C29H31Cl2N5O
- Average molar mass
- 536.5 g/mol
- Monoisotopic mass
- 535.190566
Names & identifiers
- Preferred name
- Acridine-4-carboxaldehyde, 3,6-bis(dimethylamino)-5-((p-((bis(2-chloroethyl))amino)phenyl)iminomethyl)-
- IUPAC
- 5-[[4-[bis(2-chloroethyl)amino]phenyl]iminomethyl]-3,6-bis(dimethylamino)acridine-4-carbaldehyde
Names & synonyms
69837-10-15-[[4-[bis(2-chloroethyl)amino]phenyl]iminomethyl]-3,6-bis(dimethylamino)acridine-4-carbaldehydeAcridine-4-carboxaldehyde, 3,6-bis(dimethylamino)-5-((p-((bis(2-chloroethyl))amino)phenyl)iminomethyl)-DTXSID601384552
Database identifiers
- CAS
69837-10-1- PubChem CID
- 50907
- DTXSID
DTXSID601384552- Nikkaji
- J66.904K
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 738
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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