1,4-Benzodioxan-2-propylamine, N-(2-chloroethyl)-N-methyl-, hydrochloride
Basic information
- CAS
100310-84-7- Standard SMILES
C[NH+](CCCl)CCCC1COc2ccccc2O1.[Cl-]- InChIKey
JDGKPWYHIJAYFA-UHFFFAOYSA-N- Molecular formula
- C14H21Cl2NO2
- Average molar mass
- 306.2 g/mol
- Monoisotopic mass
- 305.0949343
Names & identifiers
- Preferred name
- 1,4-Benzodioxan-2-propylamine, N-(2-chloroethyl)-N-methyl-, hydrochloride
- IUPAC
- 2-chloroethyl-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propyl]-methylazanium chloride
Names & synonyms
1,4-BENZODIOXAN-2-PROPYLAMINE, N-(2-CHLOROETHYL)-N-METHYL-, HYDROCHLORIDE100310-84-7RefChem:1053172N-(2-Chloroethyl)-N-methyl-1,4-benzodioxan-2-propylamine hydrochloride2-(N-(2-Chloroethyl)-N-methyl-3-aminopropyl)-1,4-benzodioxan hydrochloride
Database identifiers
- CAS
100310-84-7- PubChem CID
- 57707
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 240
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Compound notes
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