Ammonium, (2-hydroxytrimethylene)bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, dihydrate

HCID 48689

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Basic information

CAS: 66968-01-2
Standard SMILES: CC1CCCC(C)(C)C1CCC(C)[N+](C)(C)CC(O)C[N+](C)(C)C(C)CCC1C(C)CCCC1(C)C.[Cl-].[Cl-]
InChIKey: OHINFQJUFNEOKA-UHFFFAOYSA-L
Molecular formula: C33H68Cl2N2O
Average molar mass: 579.8 g/mol
Monoisotopic mass: 578.4708702

Names & identifiers

Preferred name: Ammonium, (2-hydroxytrimethylene)bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, dihydrate
IUPAC: [3-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]-2-hydroxypropyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride

Names & synonyms

66968-01-2Ammonium, (2-hydroxytrimethylene)bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, dihydrateRefChem:318817DTXSID309857302-Hydroxy-N~1~,N~1~,N~3~,N~3~-tetramethyl-N~1~,N~3~-bis[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]propane-1,3-bis(aminium) dichloride

Database identifiers

CAS: 66968-01-2
PubChem CID: 48689
DTXSID: DTXSID30985730

Properties

Computed structural properties

Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 12
Heavy atoms: 38
Formal charge: 0
Complexity: 611

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