Basic information
- CAS
73663-98-6- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl.[Cl-]- InChIKey
YGWQHADIQOGDRC-UHFFFAOYSA-M- Molecular formula
- C22H43Cl2N
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 391.2772558
Names & identifiers
- Preferred name
- N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride
- IUPAC
- 4-chlorobut-2-ynyl-hexadecyl-dimethylazanium chloride
Names & synonyms
73663-98-6NSC-191833AMMONIUM, (4-CHLORO-2-BUTYNYL)DIMETHYLHEXADECYL-, CHLORIDE1-Hexadecanaminium, N-(4-chloro-2-butynyl)-N,N-dimethyl-, chlorideQU6NR36W6FN-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chlorideRefChem:1091261Dimethylhexadecyl(4-chloro-2-butynyl)ammonium chlorideNSC 1918334-chlorobut-2-ynyl-hexadecyl-dimethylazanium chlorideDTXSID50994460NSC191833
Show more names
WLN: G2UU2K1&1&16 &GN-(4-Chlorobut-2-yn-1-yl)-N,N-dimethylhexadecan-1-aminium chloride1-Hexadecanaminium, N-(4-chloro-2-butyn-1-yl)-N,N-dimethyl-, chloride (1:1)
Database identifiers
- CAS
73663-98-6- PubChem CID
- 52001
- DTXSID
DTXSID50994460- UNII
- QU6NR36W6F
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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