Diethylamine, 2-((6-allyl-1,4-benzodioxan-5-yl)oxy)-, hydrochloride

HCID 25779

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Basic information

CAS: 13203-20-8
Standard SMILES: C=CCc1ccc2c(c1OCC[NH2+]CC)OCCO2.[Cl-]
InChIKey: MSUVYEWTUYYJAJ-UHFFFAOYSA-N
Molecular formula: C15H22ClNO3
Average molar mass: 299.79 g/mol
Monoisotopic mass: 299.1288213

Names & identifiers

Preferred name: Diethylamine, 2-((6-allyl-1,4-benzodioxan-5-yl)oxy)-, hydrochloride
IUPAC: ethyl-[2-[(6-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]ethyl]azanium chloride

Names & synonyms

2-((6-Allyl-1,4-benzodioxan-5-yl)oxy)diethylamine hydrochloride13203-20-8DIETHYLAMINE, 2-((6-ALLYL-1,4-BENZODIOXAN-5-YL)OXY)-, HYDROCHLORIDERefChem:338125

Database identifiers

CAS: 13203-20-8
PubChem CID: 25779

Properties

Computed structural properties

Topological polar surface area: 44.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 20
Formal charge: 0
Complexity: 272

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