Basic information
- CAS
55759-85-8- Standard SMILES
COCC(C)OCCCN- InChIKey
KRFFDNVOHOVALI-UHFFFAOYSA-N- Molecular formula
- C7H17NO2
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.12592879
Names & identifiers
- Preferred name
- 3-(2-Methoxy-1-methylethoxy)-1-propanamine
- IUPAC
- 3-(1-methoxypropan-2-yloxy)propan-1-amine
- English name
- 3-(2-Methoxy-1-methylethoxy)-1-propanamine
- Molecular formula
- C7H17NO2
- Molecular weight
- 147.22
Names & synonyms
55759-85-83-(2-METHOXY-1-METHYLETHOXY)-1-PROPANAMINERefChem:2737541-Propanamine, 3-(2-methoxy-1-methylethoxy)-DTXSID10971136KRFFDNVOHOVALI-UHFFFAOYSA-NAKOS0133594493-(2-Methoxy-1-methylethoxy)propylamine #3-[(1-Methoxypropan-2-yl)oxy]propan-1-amine
Database identifiers
- CAS
55759-85-8- PubChem CID
- 41568
- DTXSID
DTXSID10971136- Nikkaji
- J109.495E
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 68.6
Physicochemical properties
- Boiling point
- 200.6 · 200.6±15.0 °C(Predicted)
- Density
- 0.915 · 0.915±0.06 g/cm3(Predicted)
- pka
- 9.68 · 9.68±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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