Basic information
- CAS
18864-11-4- Standard SMILES
CC([NH2+]Cc1ccc2c(c1)OCO2)C(O)c1ccccc1.[Cl-]- InChIKey
DRGUZRDQERWSLW-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO3
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.1131712
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-(1-(piperonylamino)ethyl)-, hydrochloride
- IUPAC
- 1,3-benzodioxol-5-ylmethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
Names & synonyms
BS-35alpha-(1-(Piperonylamino)ethyl)benzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-(1-(PIPERONYLAMINO)ETHYL)-, HYDROCHLORIDE18864-11-4RefChem:328598
Database identifiers
- CAS
18864-11-4- PubChem CID
- 29316
Properties
Computed structural properties
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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