Basic information
- CAS
27086-86-8- Standard SMILES
CC[NH+](CC)CCCC(=O)c1ccc2c(c1)-c1ccc(C(=O)CCC[NH+](CC)CC)c3cccc-2c13.[Cl-].[Cl-]- InChIKey
KJQAVEHYRSXTFA-UHFFFAOYSA-N- Molecular formula
- C32H42Cl2N2O2
- Average molar mass
- 557.6 g/mol
- Monoisotopic mass
- 556.262334
Names & identifiers
- Preferred name
- DEAP fluoranthene
- IUPAC
- [4-[4-[4-(diethylazaniumyl)butanoyl]fluoranthen-8-yl]-4-oxobutyl]-diethylazanium dichloride
Names & synonyms
DEAP fluoranthene27086-86-8Bis(3-(diethylamino)propyl) 3,9-fluoranthenedicarboxylate dihydrochloride3,9-Fluoranthenedicarboxylic acid, bis(3-(diethylamino)propyl) ester, hydrochlorideRefChem:3366343,9-Fluoranthenedicarboxylic acid, bis(3-(diethylamino)propyl) ester, dihydrochloride3,9-Fluoranthenedicarboxylic acid, bis(3-(diethylamino)propyl) ester, hydrochloride (8CI)3,9-Fluoranthenedicarboxylic acid , bis(3-(diethylamino)propyl) ester, dihydrochloride[4-[4-[4-(diethylazaniumyl)butanoyl]fluoranthen-8-yl]-4-oxobutyl]-diethylazanium;dichloride
Database identifiers
- CAS
27086-86-8- PubChem CID
- 33694
Properties
Computed structural properties
- Topological polar surface area
- 43 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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