3-(1,3-Benzodioxol-5-yl)-1-phenylpropan-1-amine;hydrochloride
Basic information
- CAS
6273-66-1- Standard SMILES
Cl.NC(CCc1ccc2c(c1)OCO2)c1ccccc1- InChIKey
BVNKZNQXZBZIRX-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- 3-(1,3-Benzodioxol-5-yl)-1-phenylpropan-1-amine;hydrochloride
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-amine;hydrochloride
Names & synonyms
6273-66-1DTXSID00712671NSC35636NSC-356363-(2H-1,3-Benzodioxol-5-yl)-1-phenylpropan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
6273-66-1- PubChem CID
- 54599192
- DTXSID
DTXSID00712671
Properties
Computed structural properties
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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