Basic information
- CAS
55636-80-1- Standard SMILES
CCN(CC)c1ccc(C=CC2=[N+](C)c3ccccc3C2(C)C)cc1- InChIKey
ROVFEQPPDLBNAV-UHFFFAOYSA-N- Molecular formula
- C23H29N2+
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.23307393
Overview
See also: Basic Violet 16 (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Cationic Violet 16
- IUPAC
- N,N-diethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
Names & synonyms
Cationic Violet 16SCHEMBL16253381ROVFEQPPDLBNAV-UHFFFAOYSA-N2-{2-[4-(Diethylamino)phenyl]ethen-1-yl}-1,3,3-trimethyl-3H-indol-1-ium55636-80-1
Database identifiers
- CAS
55636-80-1- PubChem CID
- 22837
- DTXSID
DTXSID30859967
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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