Basic information
- CAS
730912-57-9- Standard SMILES
CC1(CCN)Oc2ccccc2O1- InChIKey
QJVISIGJNWISTB-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 2-Methyl-1,3-benzodioxole-2-ethanamine
- IUPAC
- 2-(2-methyl-1,3-benzodioxol-2-yl)ethanamine
Names & synonyms
2-Methyl-1,3-benzodioxole-2-ethanamine730912-57-9DTXSID4012833542-(2-Methyl-2H-1,3-benzodioxol-2-yl)ethan-1-amine
Database identifiers
- CAS
730912-57-9- PubChem CID
- 40397
- DTXSID
DTXSID401283354
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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