1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone
Basic information
- CAS
28198-04-1- Standard SMILES
CCCCc1cc(C)c(Nc2ccc(Nc3c(C)cc(CCCC)cc3Br)c3c2C(=O)c2ccccc2C3=O)c(Br)c1- InChIKey
LKKDBUMXNDIRMM-UHFFFAOYSA-N- Molecular formula
- C36H36Br2N2O2
- Average molar mass
- 688.5 g/mol
- Monoisotopic mass
- 686.11435
Overview
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Names & identifiers
- Preferred name
- 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone
- IUPAC
- 1,4-bis(2-bromo-4-butyl-6-methylanilino)anthracene-9,10-dione
- English name
- 1,4-bis(2-bromo-4-butyl-o-toluidino)anthraquinone
- Molecular formula
- C36H38Br2N2O2
- Molecular weight
- 690.50712
Names & synonyms
1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone28198-04-1EINECS 248-894-31,4-bis(2-bromo-4-butyl-6-methylanilino)anthracene-9,10-dioneDTXSID70182463LKKDBUMXNDIRMM-UHFFFAOYSA-NNS000284371,4-Bis(2-bromo-4-butyl-6-methylanilino)anthraquinone1,4-Bis(2-bromo-4-butyl-6-methylanilino)-9,10-anthraquinone
Database identifiers
- CAS
28198-04-1- PubChem CID
- 119889
- DTXSID
DTXSID70182463- EC Number
- 248-894-3
- Nikkaji
- J33.329H
Properties
Computed structural properties
- XLogP
- 12.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 843
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