1,4-Benzodioxan-2-methylamine, N-(2-chloroethyl)-6,7-dichloro-N-ethyl-, hydrochloride

HCID 57702

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 100310-81-4
Standard SMILES: CC[NH+](CCCl)CC1COc2cc(Cl)c(Cl)cc2O1.[Cl-]
InChIKey: DAFGEIIXFSVRTJ-UHFFFAOYSA-N
Molecular formula: C13H17Cl4NO2
Average molar mass: 361.1 g/mol
Monoisotopic mass: 359.00134

Names & identifiers

Preferred name: 1,4-Benzodioxan-2-methylamine, N-(2-chloroethyl)-6,7-dichloro-N-ethyl-, hydrochloride
IUPAC: 2-chloroethyl-[(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-ethylazanium chloride

Names & synonyms

N-(2-Chloroethyl)-6,7-dichloro-N-ethyl-1,4-benzodioxan-2-methylamine hydrochloride1,4-Benzodioxan-2-methylamine, N-(2-chloroethyl)-6,7-dichloro-N-ethyl-, hydrochloride100310-81-42-(N-(2-Chloroethyl)-N-ethylaminomethyl)-6,7-dichloro-1,4-benzodioxan hydrochlorideRefChem:220095

Database identifiers

CAS: 100310-81-4
PubChem CID: 57702

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 283

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…