Basic information
- CAS
37011-99-7- Standard SMILES
[Cl-].c1ccc2c(c1)CC[NH+](CC1CCC1)C2- InChIKey
KUAHXKKFNZCYIH-UHFFFAOYSA-N- Molecular formula
- C14H20ClN
- Average molar mass
- 237.77 g/mol
- Monoisotopic mass
- 237.1284273
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-cyclobutylmethyl-, hydrochloride
- IUPAC
- 2-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
37011-99-7ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-CYCLOBUTYLMETHYL-, HYDROCHLORIDERefChem:10877262-Cyclobutylmethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride2-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinolinium chloride
Database identifiers
- CAS
37011-99-7- PubChem CID
- 37604
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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