Basic information
- CAS
81483-79-6- Standard SMILES
CCCCCCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12- InChIKey
NSZWREFZGBFSJX-UHFFFAOYSA-N- Molecular formula
- C22H28N4O2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.22122615
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-
- IUPAC
- N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine
Names & synonyms
NSC67379181483-79-61,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamineCHEMBL1964528DTXSID80231133NSC-673791NCI60_026112N~1~-Hexyl-N~3~-(1-nitroacridin-9-yl)propane-1,3-diamine9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine
Database identifiers
- CAS
81483-79-6- PubChem CID
- 149592
- DTXSID
DTXSID80231133- ChEMBL
CHEMBL1964528- Nikkaji
- J283.551G
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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