Basic information
- CAS
64955-54-0- Standard SMILES
CCc1cccc2c(NCCCCCCCCNc3c4ccccc4nc4c(CC)cccc34)c3ccccc3nc12- InChIKey
RHTXEWNIWUPTLH-UHFFFAOYSA-N- Molecular formula
- C38H42N4
- Average molar mass
- 554.8 g/mol
- Monoisotopic mass
- 554.34094736
Names & identifiers
- Preferred name
- 1,8-Octanediamine, N,N'-bis(4-ethyl-9-acridinyl)-
- IUPAC
- N,N'-bis(4-ethylacridin-9-yl)octane-1,8-diamine
Names & synonyms
1,8-Octanediamine, N,N'-bis(4-ethyl-9-acridinyl)-64955-54-0NSC243049CHEMBL3278756DTXSID10215269NSC 243049NSC-243049N~1~,N~8~-Bis(4-ethylacridin-9-yl)octane-1,8-diamine
Database identifiers
- CAS
64955-54-0- PubChem CID
- 99566
- DTXSID
DTXSID10215269- ChEMBL
CHEMBL3278756
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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