1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-

HCID 57698

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 100310-78-9
Standard SMILES: C[NH+](CCCl)CCC1COc2ccccc2O1.[Cl-]
InChIKey: VTEFPXJPXZWZLO-UHFFFAOYSA-N
Molecular formula: C13H19Cl2NO2
Average molar mass: 292.2 g/mol
Monoisotopic mass: 291.0792842

Names & identifiers

Preferred name: 1,4-Benzodioxan, (2-((2-chloroethyl)methylamino)ethyl)-
IUPAC: 2-chloroethyl-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-methylazanium chloride

Names & synonyms

N-(2-Chloroethyl)-N-methyl-1,4-benzodioxan-2-ethylamine hydrochloride1,4-BENZODIOXAN, (2-((2-CHLOROETHYL)METHYLAMINO)ETHYL)-1,4-Benzodioxan-2-ethylamine, N-(2-chloroethyl)-N-methyl-, hydrochloride2-(N-(2-Chloroethyl)-N-methyl-2-aminoethyl)-1,4-benzodioxan hydrochloride100310-78-9RefChem:220062

Database identifiers

CAS: 100310-78-9
PubChem CID: 57698

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: 227

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…