1,2-Bis(1,3-benzodioxol-5-yl)ethanamine;hydrochloride
Basic information
- CAS
5471-42-1- Standard SMILES
Cl.NC(Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2- InChIKey
ADFMWBISLNQJED-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO4
- Average molar mass
- 321.75 g/mol
- Monoisotopic mass
- 321.0767857
Names & identifiers
- Preferred name
- 1,2-Bis(1,3-benzodioxol-5-yl)ethanamine;hydrochloride
- IUPAC
- 1,2-bis(1,3-benzodioxol-5-yl)ethanamine;hydrochloride
Names & synonyms
NSC26652NSC-266525471-42-1
Database identifiers
- CAS
5471-42-1- PubChem CID
- 54598486
Properties
Computed structural properties
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
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Related reactions
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Compound notes
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