Basic information
- CAS
48078-03-1- Standard SMILES
CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC- InChIKey
LKVHMIDEEJWEAI-UHFFFAOYSA-N- Molecular formula
- C40H84N+
- Average molar mass
- 579.1 g/mol
- Monoisotopic mass
- 578.66037668
Names & identifiers
- Preferred name
- 1-Decanaminium, N,N,N-tris(decyl)-
- IUPAC
- tetrakis-decylazanium
Names & synonyms
1-Decanaminium, N,N,N-tris(decyl)-48078-03-1tetradecylammoniumTetra(decyl)ammoniumtetrakis(decyl)ammonium3R6LZ5JM3XTAA10SCHEMBL1512077DTXSID70274852N,N,N-Tris(decyl)-1-decanaminiumN,N,N-Tris(decyl)decan-1-aminium
Database identifiers
- CAS
48078-03-1- PubChem CID
- 28337
- DTXSID
DTXSID70274852- UNII
- 3R6LZ5JM3X
- Nikkaji
- J232.011H
Properties
Computed structural properties
- XLogP
- 18.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 36
- Heavy atoms
- 41
- Formal charge
- 1
- Complexity
- 372
Experimental & physicochemical properties
Collision Cross Section
293.5 Ų [M]+ [CCS Type: DT; Method: stepped-field]
290.5 Ų [M*]+
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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