Basic information
- CAS
27078-58-6- Standard SMILES
CCN(CC)CCCOCCCc1ccc(N)cc1- InChIKey
BGIZQRITMOGZDI-UHFFFAOYSA-N- Molecular formula
- C16H28N2O
- Average molar mass
- 264.41 g/mol
- Monoisotopic mass
- 264.22016352
Names & identifiers
- Preferred name
- Aniline, p-(2-(3-(diethylamino)propoxy)propyl)-
- IUPAC
- 4-[3-[3-(diethylamino)propoxy]propyl]aniline
- English name
- p-[2-[3-(Diethylamino)propoxy]propyl]aniline
- Molecular formula
- C16H28N2O
- Molecular weight
- 264.41
Names & synonyms
BRN 2377819ANILINE, p-(2-(3-(DIETHYLAMINO)PROPOXY)PROPYL)-DTXSID50181550p-(2-(3-(Diethylamino)propoxy)-1-methylethyl)aniline27078-58-6RefChem:319655DTXCID901040414-{3-[3-(DIETHYLAMINO)PROPOXY]PROPYL}ANILINEp-[2-[3-(Diethylamino)propoxy]propyl]anilineBenzenamine, 4-[2-[3-(diethylamino)propoxy]-1-methylethyl]-
Database identifiers
- CAS
27078-58-6- PubChem CID
- 33692
- DTXSID
DTXSID50181550
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 375.3 · 375.3±27.0 °C(Predicted)
- Density
- 0.975 · 0.975±0.06 g/cm3(Predicted)
- pka
- 10.26 · 10.26±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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