Basic information
- CAS
54627-86-0- Standard SMILES
C[N+]1(C)CCCCCC1- InChIKey
DTAFFHPSEGEQRY-UHFFFAOYSA-N- Molecular formula
- C8H18N+
- Average molar mass
- 128.24 g/mol
- Monoisotopic mass
- 128.14392458
Names & identifiers
- Preferred name
- 1H-Azepinium, hexahydro-1,1-dimethyl-
- IUPAC
- 1,1-dimethylazepan-1-ium
Names & synonyms
1H-Azepinium, hexahydro-1,1-dimethyl-54627-86-0DTXSID70274892RefChem:237386DTXCID402263431,1-dimethylazepan-1-iumSCHEMBL2857671SCHEMBL9020263
Database identifiers
- CAS
54627-86-0- PubChem CID
- 30152
- DTXSID
DTXSID70274892- Nikkaji
- J386.191K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 76.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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