Basic information
- CAS
5406-76-8- Standard SMILES
CC[N+]12CN3CN(CN(C3)C1)C2.[I-]- InChIKey
ORUCAHYFTWCBGM-UHFFFAOYSA-M- Molecular formula
- C8H17IN4
- Average molar mass
- 296.15 g/mol
- Monoisotopic mass
- 296.04979
Names & identifiers
- Preferred name
- 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)
- IUPAC
- 1-ethyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane iodide
Names & synonyms
Formoiodine5406-76-8Hexamethylenetetramine ethyl iodideNSC 73083,5,7-Triaza-1-azoniaadamantane, 1-ethyl-, iodide3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-ethyl-, iodide3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-ethyl-, iodide (1:1)RefChem:271402NSC7308DTXSID40968897
Show more names
ORUCAHYFTWCBGM-UHFFFAOYSA-MNSC-73083,7-Triaza-1-azoniaadamantane, 1-ethyl-, iodide3,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-ethyl-, iodide1-Ethyl-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium iodide
Database identifiers
- CAS
5406-76-8- PubChem CID
- 64159
- DTXSID
DTXSID40968897
Properties
Computed structural properties
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-ethyl-, iodide (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…