Basic information
- CAS
100783-71-9- Standard SMILES
CCC[N+](CCC)(CCC)Cc1ccccc1- InChIKey
BCCDCNCWUHICFM-UHFFFAOYSA-N- Molecular formula
- C16H28N+
- Average molar mass
- 234.4 g/mol
- Monoisotopic mass
- 234.2221749
Names & identifiers
- Preferred name
- Benzenemethanaminium, N,N,N-tripropyl-
- IUPAC
- benzyl(tripropyl)azanium
Names & synonyms
Benzenemethanaminium, N,N,N-tripropyl-100783-71-9SCHEMBL991989benzyl-tripropylazanium chlorideBCCDCNCWUHICFM-UHFFFAOYSA-DTXSID00328135AKOS022106468N-benzyl-N,N-dipropylpropan-1-aminiumInChI=1/C16H28N/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3/q+1
Database identifiers
- CAS
100783-71-9- PubChem CID
- 406963
- DTXSID
DTXSID00328135- Nikkaji
- J231.999C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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