Basic information
- CAS
1457-19-8- Standard SMILES
CN(C)CCC1COc2ccccc2O1- InChIKey
PNYSVKJKNJNGPF-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 1,4-Benzodioxan, 2-(1-(dimethylamino)ethyl)-
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethylethanamine
- English name
- N,N,α-Trimethyl-1,4-benzodioxane-2-methanamine
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
1,4-BENZODIOXAN, 2-(1-(DIMETHYLAMINO)ETHYL)-RefChem:10531631457-19-8BRN 13464372-(1-Dimethylaminoethyl)-1,4-benzodioxaneDTXSID20932677N,N,alpha-Trimethyl-1,4-benzodioxane-2-methanamine2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-N,N-dimethylethan-1-amineN,N,α-Trimethyl-1,4-benzodioxane-2-methanamine1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N,N,α-trimethyl-
Database identifiers
- CAS
1457-19-8- PubChem CID
- 15083
- DTXSID
DTXSID20932677
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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