1,8-Octanediamine, N,N'-bis(4-butoxy-9-acridinyl)-
Basic information
- CAS
64955-66-4- Standard SMILES
CCCCOc1cccc2c(NCCCCCCCCNc3c4ccccc4nc4c(OCCCC)cccc34)c3ccccc3nc12- InChIKey
HXWHDLGFZHJTQF-UHFFFAOYSA-N- Molecular formula
- C42H50N4O2
- Average molar mass
- 642.9 g/mol
- Monoisotopic mass
- 642.39337685
Names & identifiers
- Preferred name
- 1,8-Octanediamine, N,N'-bis(4-butoxy-9-acridinyl)-
- IUPAC
- N,N'-bis(4-butoxyacridin-9-yl)octane-1,8-diamine
Names & synonyms
1,8-Octanediamine, N,N'-bis(4-butoxy-9-acridinyl)-64955-66-4NSC252190N,N'-Bis(4-butoxy-9-acridinyl)-1,8-octanediamineCHEMBL3278772DTXSID80215276NSC 252190NSC-252190N~1~,N~8~-Bis(4-butoxyacridin-9-yl)octane-1,8-diamine
Database identifiers
- CAS
64955-66-4- PubChem CID
- 99628
- DTXSID
DTXSID80215276- ChEMBL
CHEMBL3278772
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 820
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Compound notes
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