Acridinium, 10-butyl-3,6-diamino-, sulfate
Basic information
- CAS
101952-50-5- Standard SMILES
CCCC[n+]1c2cc(N)ccc2cc2ccc(N)cc21.O=S(=O)([O-])O- InChIKey
QXOUHSJVVLQBMA-UHFFFAOYSA-N- Molecular formula
- C17H21N3O4S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.12527733
Names & identifiers
- Preferred name
- Acridinium, 10-butyl-3,6-diamino-, sulfate
- IUPAC
- 10-butylacridin-10-ium-3,6-diamine;hydrogen sulfate
Names & synonyms
ACRIDINIUM, 10-BUTYL-3,6-DIAMINO-, SULFATEN-Butylproflavine101952-50-510-Butyl-3,6-diaminoacridinium sulfateDTXSID101444043,6-Diamino-10-butylacridin-10-ium hydrogen sulfate
Database identifiers
- CAS
101952-50-5- PubChem CID
- 59168
- DTXSID
DTXSID10144404
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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