Basic information
- CAS
37483-80-0- Standard SMILES
C#CC[NH+](C)C1CCCOc2cc(Cl)ccc21.[Cl-]- InChIKey
JNWQABFLROTXCL-UHFFFAOYSA-N- Molecular formula
- C14H17Cl2NO
- Average molar mass
- 286.2 g/mol
- Monoisotopic mass
- 285.0687196
Names & identifiers
- Preferred name
- 8-Chloro-N-methyl-N-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)
- IUPAC
- (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynylazanium chloride
Names & synonyms
37483-80-0DTXSID909585868-Chloro-N-methyl-N-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)RefChem:1074687DTXCID6013864891-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-N-2-propynyl-, hydrochloride2,3,4,5-Tetrahydro-8-chloro-N-methyl-N-2-propynyl-1-benzoxepin-5-amine hydrochloride5-(N-Methyl-N-propargylamino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride
Database identifiers
- CAS
37483-80-0- PubChem CID
- 37762
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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