Basic information
- CAS
67011-29-4- Standard SMILES
CCN(C)C(C)C1COc2ccccc2O1- InChIKey
NMJPUZCRTZHNNA-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- 1,4-Benzodioxan, 2-(1-(ethylmethylamino)ethyl)-
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-N-methylethanamine
- English name
- 2-[1-(Ethylmethylamino)ethyl]-1,4-benzodioxane
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
67011-29-41,4-BENZODIOXAN, 2-(1-(ETHYLMETHYLAMINO)ETHYL)-RefChem:1053164BRN 13147582-(1-Methylethylaminoethyl)-1,4-benzodioxaneDTXSID409858421-(2,3-Dihydro-1,4-benzodioxin-2-yl)-N-ethyl-N-methylethan-1-amine2-[1-(Ethylmethylamino)ethyl]-1,4-benzodioxane1,4-Benzodioxin-2-methanamine, N-ethyl-2,3-dihydro-N,α-dimethyl-
Database identifiers
- CAS
67011-29-4- PubChem CID
- 48836
- DTXSID
DTXSID40985842- Nikkaji
- J71.427E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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