Ammonium, hexamethylenebis(1-methyl-3-(2-methylspiro(5.5)undecyl)propyl)bis(dimethyl-, dibromide, trihydrate

HCID 51472

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Basic information

CAS: 72004-08-1
Standard SMILES: CC1CCCC2(CCCCC2)C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC1C(C)CCCC12CCCCC2.[Br-].[Br-]
InChIKey: IHKYYLASULOGFK-UHFFFAOYSA-L
Molecular formula: C42H82Br2N2
Average molar mass: 774.9 g/mol
Monoisotopic mass: 772.48448

Names & identifiers

Preferred name: Ammonium, hexamethylenebis(1-methyl-3-(2-methylspiro(5.5)undecyl)propyl)bis(dimethyl-, dibromide, trihydrate
IUPAC: 6-[dimethyl-[4-(4-methylspiro[5.5]undecan-5-yl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(4-methylspiro[5.5]undecan-5-yl)butan-2-yl]azanium dibromide

Names & synonyms

72004-08-1Ammonium, hexamethylenebis(1-methyl-3-(2-methylspiro(5.5)undecyl)propyl)bis(dimethyl-, dibromide, trihydrateRefChem:319386DTXSID10992689N~1~,N~1~,N~6~,N~6~-Tetramethyl-N~1~,N~6~-bis[4-(2-methylspiro[5.5]undecan-1-yl)butan-2-yl]hexane-1,6-bis(aminium) dibromide

Database identifiers

CAS: 72004-08-1
PubChem CID: 51472
DTXSID: DTXSID10992689

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 15
Heavy atoms: 46
Formal charge: 0
Complexity: 748

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