Basic information
- CAS
66902-75-8- Standard SMILES
CC1CCCC(C)(C)C1CCC(C)[N+](C)(C)CC#CC[N+](C)(C)C(C)CCC1C(C)CCCC1(C)C.[Cl-].[Cl-]- InChIKey
ZDUDVOIFULQFIF-UHFFFAOYSA-L- Molecular formula
- C34H66Cl2N2
- Average molar mass
- 573.8 g/mol
- Monoisotopic mass
- 572.4603055
Names & identifiers
- Preferred name
- Ammonium, 2-butynylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, dihydrate
- IUPAC
- 4-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]but-2-ynyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride
Names & synonyms
66902-75-8Ammonium, 2-butynylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, dihydrateRefChem:319131DTXSID50985550N~1~,N~1~,N~4~,N~4~-Tetramethyl-N~1~,N~4~-bis[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]but-2-yne-1,4-bis(aminium) dichloride
Database identifiers
- CAS
66902-75-8- PubChem CID
- 48301
- DTXSID
DTXSID50985550
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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