Basic information
- CAS
5414-63-1- Standard SMILES
CCN(CC)CCC(CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12)c1ccccc1.[Cl-]- InChIKey
JBANJYHYPHFVFW-UHFFFAOYSA-M- Molecular formula
- C29H34ClN4O4-
- Average molar mass
- 538.1 g/mol
- Monoisotopic mass
- 537.2268583
Names & identifiers
- Preferred name
- N-(2,3-dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine chloride
- IUPAC
- N-(2,3-dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine chloride
Names & synonyms
NSC34927NSC-34927
Database identifiers
- CAS
5414-63-1- PubChem CID
- 24184591
Properties
Computed structural properties
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- -1
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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