Butyl-[3-[[4-[3-[butyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium
Basic information
- Standard SMILES
CCCC[N+](CC)(CC)CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)CCCC)=CC1=O- InChIKey
HOCXHXWABLUOHB-UHFFFAOYSA-P- Molecular formula
- C28H54N4O2+2
- Average molar mass
- 478.8 g/mol
- Monoisotopic mass
- 478.42467698
Names & identifiers
- Preferred name
- Butyl-[3-[[4-[3-[butyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium
- IUPAC
- butyl-[3-[[4-[3-[butyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium
Names & synonyms
DTXSID901384575butyl-[3-[[4-[3-[butyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium
Database identifiers
- PubChem CID
- 52117
- DTXSID
DTXSID901384575
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 34
- Formal charge
- 2
- Complexity
- 618
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…