N,N-Diethyl-2-(2-methyl-2H-1,3-benzodioxol-2-yl)ethan-1-amine--hydrogen chloride (1/1)

HCID 47539

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Basic information

CAS: 65210-31-3
Standard SMILES: CC[NH+](CC)CCC1(C)Oc2ccccc2O1.[Cl-]
InChIKey: JHRMVICLUJHVED-UHFFFAOYSA-N
Molecular formula: C14H22ClNO2
Average molar mass: 271.78 g/mol
Monoisotopic mass: 271.1339066

Names & identifiers

Preferred name: N,N-Diethyl-2-(2-methyl-2H-1,3-benzodioxol-2-yl)ethan-1-amine--hydrogen chloride (1/1)
IUPAC: diethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride

Names & synonyms

65210-31-3DTXSID70983816N,N-Diethyl-2-(2-methyl-2H-1,3-benzodioxol-2-yl)ethan-1-amine--hydrogen chloride (1/1)RefChem:1090430DTXCID5014110452-(2-(Diethylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride1,3-BENZODIOXOLE, 2-(2-(DIETHYLAMINO)ETHYL)-2-METHYL-, HYDROCHLORIDE

Database identifiers

CAS: 65210-31-3
PubChem CID: 47539

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 226

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