Basic information
- CAS
23799-86-2- Standard SMILES
Cc1ccc2scc(CCN(C)C)c2c1.Cl- InChIKey
JJFMVJWYZMFZDE-UHFFFAOYSA-N- Molecular formula
- C13H18ClNS
- Average molar mass
- 255.81 g/mol
- Monoisotopic mass
- 255.0848484
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-ethylamine, N,N,5-trimethyl-, hydrochloride
- IUPAC
- N,N-dimethyl-2-(5-methyl-1-benzothiophen-3-yl)ethanamine;hydrochloride
Names & synonyms
23799-86-2Benzo(b)thiophene-3-ethylamine, N,N,5-trimethyl-, hydrochlorideRefChem:1078829N,N,5-Trimethylbenzo(b)thiophene-3-ethylamine hydrochlorideDTXSID90946600N,N-Dimethyl-2-(5-methyl-1-benzothiophen-3-yl)ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
23799-86-2- PubChem CID
- 211997
- DTXSID
DTXSID90946600
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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