1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-N-2-propenyl-, hydrochloride
Basic information
- CAS
37483-78-6- Standard SMILES
C=CC[NH+](C)C1CCCOc2cc(Cl)ccc21.[Cl-]- InChIKey
PESJDAHPOBHVED-UHFFFAOYSA-N- Molecular formula
- C14H19Cl2NO
- Average molar mass
- 288.2 g/mol
- Monoisotopic mass
- 287.0843696
Names & identifiers
- Preferred name
- 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-N-2-propenyl-, hydrochloride
- IUPAC
- (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-enylazanium chloride
Names & synonyms
1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-N-2-propenyl-, hydrochloride37483-78-6RefChem:10549332,3,4,5-Tetrahydro-8-chloro-N-methyl-N-2-propenyl-1-benzoxepin-5-amine hydrochloride5-(N-Methyl-N-allylamino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride
Database identifiers
- CAS
37483-78-6- PubChem CID
- 37760
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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