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Basic information
- CAS
72829-21-1- Standard SMILES
CC(=O)[O-].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3c2C(=O)c2ccccc2C3=O)c(C)c1- InChIKey
RITBQYTUANFUOQ-UHFFFAOYSA-N- Molecular formula
- C30H35N3O4
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.26275661
Names & identifiers
- Preferred name
- 1-Propanaminium, 3-[[4-[(2,4-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, acetate (1:1)
- IUPAC
- 3-[[4-(2,4-dimethylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl-trimethylazanium acetate
Names & synonyms
EINECS 276-908-872829-21-11-Propanaminium, 3-[[4-[(2,4-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, acetateDTXSID30726141-Propanaminium, 3-((4-((2,4-dimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, acetate1-Propanaminium, 3-((4-((2,4-dimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, acetate (1:1)Propanaminium, 3-((4-((2,4-dimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)trimethyl-, acetate1-Propanaminium, 3-[[4-[(2,4-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, acetate (1:1)RefChem:77070DTXCID6047363NS00090802(3-((4-((2,4-Dimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthryl)amino)propyl)trimethylammonium acetate
Show more names
3-{[4-(2,4-Dimethylanilino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-N,N,N-trimethylpropan-1-aminium acetate
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
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Compound notes
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