Benzenemethanaminium, N,N'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-3,1-propanediyl))bis(N,N-dimethyl-, dichloride
Basic information
- CAS
72214-26-7- Standard SMILES
C[N+](C)(CCCNc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c2c1C(=O)c1ccccc1C2=O)Cc1ccccc1- InChIKey
WGSKZSSLUJTERF-UHFFFAOYSA-P- Molecular formula
- C38H46N4O2+2
- Average molar mass
- 590.8 g/mol
- Monoisotopic mass
- 590.36207672
Names & identifiers
- Preferred name
- Benzenemethanaminium, N,N'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-3,1-propanediyl))bis(N,N-dimethyl-, dichloride
- IUPAC
- benzyl-[3-[[4-[3-[benzyl(dimethyl)azaniumyl]propylamino]-9,10-dioxoanthracen-1-yl]amino]propyl]-dimethylazanium
Names & synonyms
EINECS 276-487-072214-26-7Benzenemethanaminium, N,N'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-3,1-propanediyl))bis(N,N-dimethyl-, chloride (1:2)Benzenemethanaminium, N,N'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-3,1-propanediyl))bis(N,N-dimethyl-, dichloride((9,10-Dihydro-9,10-dioxo-1,4-anthrylene)bis(iminopropane-1,3-diyl))bis(benzyldimethylammonium) dichlorideDTXSID108681133,3'-[(9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl)bis(azanediyl)]bis(N-benzyl-N,N-dimethylpropan-1-aminium)3,3'-[(9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl)diazanediyl]bis(N-benzyl-N,N-dimethylpropan-1-aminium)
Database identifiers
- CAS
72214-26-7- PubChem CID
- 3085758
- DTXSID
DTXSID10868113- EC Number
- 276-487-0
- Nikkaji
- J304.019D
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 2
- Complexity
- 848
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanaminium, N,N'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-3,1-propanediyl)]bis[N,N-dimethyl-, chloride (1:2): INACTIVE
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Compound notes
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