Propylamine, N,N-diethyl-3-(3-phenylpropoxy)-
Basic information
- CAS
27078-39-3- Standard SMILES
CCN(CC)CCCOCCCc1ccccc1- InChIKey
GHSSEDHQUJRUBD-UHFFFAOYSA-N- Molecular formula
- C16H27NO
- Average molar mass
- 249.39 g/mol
- Monoisotopic mass
- 249.20926449
Names & identifiers
- Preferred name
- Propylamine, N,N-diethyl-3-(3-phenylpropoxy)-
- IUPAC
- N,N-diethyl-3-(3-phenylpropoxy)propan-1-amine
- English name
- N,N-Diethyl-3-(3-phenylpropoxy)propane-1-amine
- Molecular formula
- C16H27NO
- Molecular weight
- 249.39
Names & synonyms
27078-39-3Propylamine, N,N-diethyl-3-(3-phenylpropoxy)-RefChem:1097045N,N-Diethyl-3-(3-phenylpropoxy)propylamineBRN 2452356n,n-diethyl-3-(3-phenylpropoxy)propan-1-amineSCHEMBL490540DTXSID10949835N,N-Diethyl-3-(3-phenylpropoxy)propane-1-amine1-Propanamine, N,N-diethyl-3-(3-phenylpropoxy)-
Database identifiers
- CAS
27078-39-3- PubChem CID
- 213812
- DTXSID
DTXSID10949835- Nikkaji
- J71.075J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 340.1 · 340.1±35.0 °C(Predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- pka
- 10.26 · 10.26±0.25(Predicted)
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Compound notes
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