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

HCID 48281

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Basic information

CAS: 66902-64-5
Standard SMILES: CC(=O)N([N+](C)(C)CCC(C)CCC1C(C)CCCC1(C)C)[N+](C)(C)CCC(C)CCC1C(C)CCCC1(C)C.[Cl-].[Cl-]
InChIKey: MBFNTQZSTAWIGD-UHFFFAOYSA-L
Molecular formula: C36H73Cl2N3O
Average molar mass: 634.9 g/mol
Monoisotopic mass: 633.5130693

Names & identifiers

Preferred name: Ammonium, (acetylimino)diethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, dihydrate
IUPAC: [acetyl-[dimethyl-[3-methyl-5-(2,2,6-trimethylcyclohexyl)pentyl]azaniumyl]amino]-dimethyl-[3-methyl-5-(2,2,6-trimethylcyclohexyl)pentyl]azanium dichloride

Names & synonyms

66902-64-5Ammonium, (acetylimino)diethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, dihydrateRefChem:318967DTXSID609855412-acetyl-1,1,3,3-tetramethyl-1,3-bis[3-methyl-5-(2,2,6-trimethylcyclohexyl)pentyl]triazane-1,3-diium dichloride

Database identifiers

CAS: 66902-64-5
PubChem CID: 48281
DTXSID: DTXSID60985541

Properties

Computed structural properties

Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 42
Formal charge: 0
Complexity: 727

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