Benzo(b)thiophene-3-methylamine, 7-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride
Basic information
- CAS
17512-55-9- Standard SMILES
CCN(CCCl)Cc1csc2c(Cl)cccc12.Cl- InChIKey
AEVHWYIKJUQRGM-UHFFFAOYSA-N- Molecular formula
- C13H16Cl3NS
- Average molar mass
- 324.7 g/mol
- Monoisotopic mass
- 323.006904
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-methylamine, 7-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride
- IUPAC
- 2-chloro-N-[(7-chloro-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride
Names & synonyms
Benzo(b)thiophene-3-methylamine, 7-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochlorideBenzo(b)thiophene-3-methanamine, 7-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride17512-55-9DTXSID201699417-Chloro-N-(2-chloroethyl)-N-ethylbenzo(b)thiophene-3-methylamine hydrochlorideRefChem:326259DTXCID70924322-Chloro-N-[(7-chloro-1-benzothiophen-3-yl)methyl]-N-ethylethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
17512-55-9- PubChem CID
- 205146
- DTXSID
DTXSID20169941
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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