N,N,N-Trimethyl-4-oxo-3,3,6-triphenylhexan-1-aminium
Basic information
- CAS
7500-31-4- Standard SMILES
C[N+](C)(C)CCC(C(=O)CCc1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
RELNFVYASNPWPL-UHFFFAOYSA-N- Molecular formula
- C27H32NO+
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.24838964
Names & identifiers
- Preferred name
- N,N,N-Trimethyl-4-oxo-3,3,6-triphenylhexan-1-aminium
- IUPAC
- trimethyl-(4-oxo-3,3,6-triphenylhexyl)azanium
Names & synonyms
7500-31-4NSC400435N,N,N-Trimethyl-4-oxo-3,3,6-triphenylhexan-1-aminiumDTXSID40331188NSC-400435
Database identifiers
- CAS
7500-31-4- PubChem CID
- 436205
- DTXSID
DTXSID40331188
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 469
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Compound notes
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