Basic information
- CAS
63917-76-0- Standard SMILES
CCN(CC)CCOCCCOC(=O)c1ccc(N)cc1- InChIKey
PZABEXWNZYLYEY-UHFFFAOYSA-N- Molecular formula
- C16H26N2O3
- Average molar mass
- 294.39 g/mol
- Monoisotopic mass
- 294.1943427
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 3-(beta-(diethylamino)ethoxy)propyl ester
- IUPAC
- 3-[2-(diethylamino)ethoxy]propyl 4-aminobenzoate
- English name
- 3-[β-(Diethylamino)ethoxy]propyl=p-aminobenzoate
- Molecular formula
- C16H26N2O3
- Molecular weight
- 294.39
Names & synonyms
63917-76-03-(beta-(Diethylamino)ethoxy)propyl p-aminobenzoateBENZOIC ACID, p-AMINO-, 3-(beta-(DIETHYLAMINO)ETHOXY)PROPYL ESTERDTXSID30213681RefChem:327913DTXCID601361723-[2-(diethylamino)ethoxy]propyl 4-aminobenzoate3-[β-(Diethylamino)ethoxy]propyl=p-aminobenzoate1-Propanol, 3-[2-(diethylamino)ethoxy]-, 1-(4-aminobenzoate)
Database identifiers
- CAS
63917-76-0- PubChem CID
- 45319
- DTXSID
DTXSID30213681- Nikkaji
- J73.830A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 436.16 °C · 436.16°C (rough estimate)
- Density
- 1.0388 · 1.0388 (rough estimate)
- refractive index
- 1.529 · 1.5290 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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