Basic information
- CAS
37011-98-6- Standard SMILES
[Cl-].c1ccc2c(c1)CC[NH+](CC1CC1)C2- InChIKey
NESQTCCPPFQAIB-UHFFFAOYSA-N- Molecular formula
- C13H18ClN
- Average molar mass
- 223.74 g/mol
- Monoisotopic mass
- 223.1127773
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-cyclopropylmethyl-, hydrochloride
- IUPAC
- 2-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
37011-98-6ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-CYCLOPROPYLMETHYL-, HYDROCHLORIDERefChem:10877282-Cyclopropylmethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride2-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinolinium chloride
Database identifiers
- CAS
37011-98-6- PubChem CID
- 37602
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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