Ammonium, decamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, sesquihydrate

HCID 48313

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 66902-84-9
Standard SMILES: CC1=C(CCC(C)[N+](C)(C)CCCCCCCCCC[N+](C)(C)C(C)CCC2=C(C)CCCC2(C)C)C(C)(C)CCC1.[Br-].[Br-]
InChIKey: KFMIEXDDRACIJN-UHFFFAOYSA-L
Molecular formula: C40H78Br2N2
Average molar mass: 746.9 g/mol
Monoisotopic mass: 744.45318

Names & identifiers

Preferred name: Ammonium, decamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, sesquihydrate
IUPAC: 10-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]decyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide

Names & synonyms

66902-84-9Ammonium, decamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, sesquihydrateRefChem:319197DTXSID70985557N~1~,N~1~,N~10~,N~10~-Tetramethyl-N~1~,N~10~-bis[4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]decane-1,10-bis(aminium) dibromide

Database identifiers

CAS: 66902-84-9
PubChem CID: 48313
DTXSID: DTXSID70985557

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 19
Heavy atoms: 44
Formal charge: 0
Complexity: 796

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…