Basic information
- CAS
67011-35-2- Standard SMILES
CCCNC(C)C1COc2ccccc2O1- InChIKey
RXBKKPJEJZBXOF-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-propylaminoethyl)-
- IUPAC
- N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]propan-1-amine
- English name
- 2-(1-Propylaminoethyl)-1,4-benzodioxane
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
2-(1-Propylaminoethyl)-1,4-benzodioxane67011-35-21,4-BENZODIOXAN, 2-(1-PROPYLAMINOETHYL)-RefChem:220071DTXSID00985848N-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)ETHYL]PROPAN-1-AMINEAKOS0146870471,4-Benzodioxin-2-methanamine, 2,3-dihydro-α-methyl-N-propyl-
Database identifiers
- CAS
67011-35-2- PubChem CID
- 48842
- DTXSID
DTXSID00985848- Nikkaji
- J71.456I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 305.1 · 305.1±21.0 °C(Predicted)
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- pka
- 9.08 · 9.08±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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