Basic information
- CAS
67011-30-7- Standard SMILES
CC(C)NC(C)C1COc2ccccc2O1- InChIKey
PCUKAVUOEYDTFC-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-isopropylaminoethyl)-
- IUPAC
- N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]propan-2-amine
- English name
- 2-(1-Isopropylaminoethyl)-1,4-benzodioxane
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
2-(1-Isopropylaminoethyl)-1,4-benzodioxaneBRN 131474867011-30-71,4-BENZODIOXAN, 2-(1-ISOPROPYLAMINOETHYL)-RefChem:220067DTXSID00985843N-[1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl]propan-2-amine1,4-Benzodioxin-2-methanamine, 2,3-dihydro-α-methyl-N-(1-methylethyl)-
Database identifiers
- CAS
67011-30-7- PubChem CID
- 48837
- DTXSID
DTXSID00985843- Nikkaji
- J71.429A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 299.3 · 299.3±19.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- pka
- 9.06 · 9.06±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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