1,3-Benzodioxole, 2-(2-(3-(diethylamino)propylamino)ethyl)-2-methyl-, dihydrochloride

HCID 47549

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Basic information

CAS: 65210-36-8
Standard SMILES: CC[NH+](CC)CCC[NH2+]CCC1(C)Oc2ccccc2O1.[Cl-].[Cl-]
InChIKey: OLFZFVHKIIFCPQ-UHFFFAOYSA-N
Molecular formula: C17H30Cl2N2O2
Average molar mass: 365.3 g/mol
Monoisotopic mass: 364.1684336

Names & identifiers

Preferred name: 1,3-Benzodioxole, 2-(2-(3-(diethylamino)propylamino)ethyl)-2-methyl-, dihydrochloride
IUPAC: diethyl-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]propyl]azanium dichloride

Names & synonyms

1,3-Benzodioxole, 2-(2-(3-(diethylamino)propylamino)ethyl)-2-methyl-, dihydrochloride65210-36-8N,N-Diethyl-N'-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-1,3-propanediamine dihydrochlorideRefChem:217849

Database identifiers

CAS: 65210-36-8
PubChem CID: 47549

Properties

Computed structural properties

Topological polar surface area: 39.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 23
Formal charge: 0
Complexity: 281

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