Basic information
- CAS
27160-30-1- Standard SMILES
ClCC[NH+]1CCc2ccccc2C1.[Cl-]- InChIKey
XICWDIADGJVYEU-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2N
- Average molar mass
- 232.15 g/mol
- Monoisotopic mass
- 231.0581549
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride
- IUPAC
- 2-(2-chloroethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-(2-CHLOROETHYL)-, HYDROCHLORIDE27160-30-1RefChem:1087711NSC 505992-(2-Chloroethyl)-1,2,3,4-tetrahydroisoquinoline hydrochlorideIsoquinoline, 2-(2-chloroethyl)-1,2,3,4-tetrahydro-, hydrochloride
Database identifiers
- CAS
27160-30-1- PubChem CID
- 33728
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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