Benzylamine, N-(2-(p-cymene-3-yloxy)ethyl)-N-(2-iodoethyl)-, hydriodide

HCID 28084

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Basic information

CAS: 16793-71-8
Standard SMILES: Cc1ccc(C(C)C)c(OCC[NH+](CCI)Cc2ccccc2)c1.[I-]
InChIKey: QJEUHSJTDILZBD-UHFFFAOYSA-N
Molecular formula: C21H29I2NO
Average molar mass: 565.3 g/mol
Monoisotopic mass: 565.03386

Names & identifiers

Preferred name: Benzylamine, N-(2-(p-cymene-3-yloxy)ethyl)-N-(2-iodoethyl)-, hydriodide
IUPAC: benzyl-(2-iodoethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium iodide

Names & synonyms

16793-71-8BENZYLAMINE, N-(2-(p-CYMENE-3-YLOXY)ETHYL)-N-(2-IODOETHYL)-, HYDRIODIDERefChem:1079496N-(2-(p-Cymene-3-yloxy)ethyl)-N-(2-iodoethyl)benzylamine hydroiodideWV 818

Database identifiers

CAS: 16793-71-8
PubChem CID: 28084

Properties

Computed structural properties

Topological polar surface area: 13.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 9
Heavy atoms: 25
Formal charge: 0
Complexity: 330

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