Basic information
- CAS
1457-20-1- Standard SMILES
CCN(CC)CCC1COc2ccccc2O1- InChIKey
NFHDQVDHXKWZFG-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 1,4-Benzodioxan, 2-(1-(diethylamino)ethyl)-
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylethanamine
- English name
- N,N-Diethyl-α-methyl-1,4-benzodioxane-2-methanamine
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32204
Names & synonyms
1,4-BENZODIOXAN, 2-(1-(DIETHYLAMINO)ETHYL)-RefChem:10531621457-20-1BRN 13474822-(1-Diethylaminoethyl)-1,4-benzodioxaneDTXSID809326782-(2,3-Dihydro-1,4-benzodioxin-2-yl)-N,N-diethylethan-1-amineN,N-Diethyl-α-methyl-1,4-benzodioxane-2-methanamine1,4-Benzodioxin-2-methanamine, N,N-diethyl-2,3-dihydro-α-methyl-
Database identifiers
- CAS
1457-20-1- PubChem CID
- 15084
- DTXSID
DTXSID80932678
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 102 · 102-103 °C(Press: 0.3 Torr)
- Density
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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