(2-Heptadecyl-1,3-dioxolan-4-yl)methyl-(3-hydroxypropyl)-dimethyl-ammonium

HCID 451660

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Basic information

CAS: 126614-05-9
Standard SMILES: CCCCCCCCCCCCCCCCCC1OCC(C[N+](C)(C)CCCO)O1.[Br-]
InChIKey: XXQNJYHYUYGZKY-UHFFFAOYSA-M
Molecular formula: C26H54BrNO3
Average molar mass: 508.6 g/mol
Monoisotopic mass: 507.32871

Names & identifiers

Preferred name: (2-Heptadecyl-1,3-dioxolan-4-yl)methyl-(3-hydroxypropyl)-dimethyl-ammonium
IUPAC: (2-heptadecyl-1,3-dioxolan-4-yl)methyl-(3-hydroxypropyl)-dimethylazanium bromide

Names & synonyms

126614-05-9(+-)-1,3-Dioxolane-4-methanaminium,2-heptadecyl-N-(3-hydroxypropyl)-N,N-dimethyl-,bromide,trans-CHEMBL50749SCHEMBL8912390DTXSID30925631(2-heptadecyl-1,3-dioxolan-4-yl)methyl-(3-hydroxypropyl)-dimethyl-ammoniumN-[(2-Heptadecyl-1,3-dioxolan-4-yl)methyl]-3-hydroxy-N,N-dimethylpropan-1-aminium bromide(+/-)-1,3-Dioxolane-4-methanaminium,2-heptadecyl-N-(3-hydroxypropyl)-N,N-dimethyl-,bromide,trans-

Database identifiers

CAS: 126614-05-9
PubChem CID: 451660
DTXSID: DTXSID30925631
ChEMBL: CHEMBL50749

Properties

Computed structural properties

Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 21
Heavy atoms: 31
Formal charge: 0
Complexity: 375

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