Benzo(b)thiophene-3-methylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride
Basic information
- CAS
16662-20-7- Standard SMILES
CCCCN(CCCl)Cc1csc2ccccc12.Cl- InChIKey
ZIYFCINVDKQLDQ-UHFFFAOYSA-N- Molecular formula
- C15H21Cl2NS
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 317.0771762
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-methylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride
- IUPAC
- N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)butan-1-amine;hydrochloride
Names & synonyms
Benzo(b)thiophene-3-methylamine, N-butyl-N-(2-chloroethyl)-, hydrochlorideN-Butyl-N-(2-chloroethyl)benzo(b)thiophene-3-methylamine hydrochloride16662-20-7DTXSID20168136RefChem:326272DTXCID0090627N-[(1-Benzothiophen-3-yl)methyl]-N-(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
16662-20-7- PubChem CID
- 204583
- DTXSID
DTXSID20168136
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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