Basic information
- CAS
60676-84-8- Standard SMILES
COc1cc(CC(C)[NH3+])cc2c1OCO2.[Cl-]- InChIKey
HULCPMREEFWFRE-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO3
- Average molar mass
- 245.7 g/mol
- Monoisotopic mass
- 245.0818711
Overview
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Names & identifiers
- Preferred name
- 7-Methoxy-alpha-methyl-1,3-benzodioxole-5-ethanamine hydrochloride
- IUPAC
- 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-ylazanium chloride
Names & synonyms
1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-ylazanium;chlorideNCGC00247692-017-Methoxy-alpha-methyl-1,3-benzodioxole-5-ethanamine hydrochlorideUNII-LYE581JI1DTox21_112842CAS-60676-84-81-(7-METHOXY-2H-1,3-BENZODIOXOL-5-YL)PROPAN-2-AMINIUM CHLORIDE
Database identifiers
- CAS
60676-84-8- PubChem CID
- 43398
- DTXSID
DTXSID0048890
Properties
Computed structural properties
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
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Compound notes
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