1,4,5,8-Tetraamino-2-bromo-7-butoxyanthracene-9,10-dione
Basic information
- CAS
88603-37-6- Standard SMILES
CCCCOc1cc(N)c2c(c1N)C(=O)c1c(N)c(Br)cc(N)c1C2=O- InChIKey
TVGNXOJNESDKTR-UHFFFAOYSA-N- Molecular formula
- C18H19BrN4O3
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 418.06405
Names & identifiers
- Preferred name
- 1,4,5,8-Tetraamino-2-bromo-7-butoxyanthracene-9,10-dione
- IUPAC
- 1,4,5,8-tetraamino-2-bromo-7-butoxyanthracene-9,10-dione
Names & synonyms
88603-37-61,4,5,8-Tetraamino-2-bromo-7-butoxyanthracene-9,10-dioneSCHEMBL10602946DTXSID90603322
Database identifiers
- CAS
88603-37-6- PubChem CID
- 20188035
- DTXSID
DTXSID90603322
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 563
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Compound notes
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