Basic information
- CAS
66147-64-6- Standard SMILES
CS(=O)(=O)[O-].NC(=O)CCCCCCCc1ccc([NH2+]c2c3ccccc3nc3ccccc23)cc1- InChIKey
OBLBCSWAXZCOFA-UHFFFAOYSA-N- Molecular formula
- C28H33N3O4S
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.21917772
Names & identifiers
- Preferred name
- Octanamide, 8-(p-(9-acridinylamino)phenyl)-, methanesulfonate
- IUPAC
- acridin-9-yl-[4-(8-amino-8-oxooctyl)phenyl]azanium;methanesulfonate
Names & synonyms
8-(p-(9-Acridinylamino)phenyl)octanamide, methanesulfonate66147-64-6OCTANAMIDE, 8-(p-(9-ACRIDINYLAMINO)PHENYL)-, METHANESULFONATERefChem:366805
Database identifiers
- CAS
66147-64-6- PubChem CID
- 47835
Properties
Computed structural properties
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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