Benzalkonium chloriodite
Basic information
- CAS
102583-76-6- Standard SMILES
CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.Cl[I-]Cl- InChIKey
XTSIOKBBSBPDMN-UHFFFAOYSA-N- Molecular formula
- C22H40Cl2IN
- Average molar mass
- 516.4 g/mol
- Monoisotopic mass
- 515.15825
Names & identifiers
- Preferred name
- Benzalkonium chloriodite
Names & synonyms
Benzalkonium chlorioditeBenzyldimethyltridecylammonium chloroioditeAMMONIUM, BENZYLDIMETHYLTRIDECYL-, CHLOROIODITE102583-76-6DTXSID70145295RefChem:321233DTXCID3067786
Database identifiers
- CAS
102583-76-6- PubChem CID
- 59557
- DTXSID
DTXSID70145295
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 255
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Related reactions
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Compound notes
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