Basic information
- CAS
16662-22-9- Standard SMILES
Cl.ClCCN(Cc1ccccc1)Cc1csc2ccccc12- InChIKey
FRRIWFKVJDUAMR-UHFFFAOYSA-N- Molecular formula
- C18H19Cl2NS
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 351.0615262
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-methylamine, N-benzyl-N-(2-chloroethyl)-, hydrochloride
- IUPAC
- N-(1-benzothiophen-3-ylmethyl)-N-benzyl-2-chloroethanamine;hydrochloride
Names & synonyms
Benzo(b)thiophene-3-methylamine, N-benzyl-N-(2-chloroethyl)-, hydrochlorideN-Benzyl-N-(2-chloroethyl)benzo(b)thiophene-3-methylamine hydrochloride16662-22-9DTXSID40168138RefChem:326269DTXCID0090629N-[(1-Benzothiophen-3-yl)methyl]-N-benzyl-2-chloroethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
16662-22-9- PubChem CID
- 204587
- DTXSID
DTXSID40168138
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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