Basic information
- CAS
67031-48-5- Standard SMILES
CN(C)CC(OC(=O)c1ccc(N)cc1)c1ccccc1- InChIKey
CEKOPAVBIKRJKH-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2
- Average molar mass
- 284.35 g/mol
- Monoisotopic mass
- 284.15247789
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester
- IUPAC
- [2-(dimethylamino)-1-phenylethyl] 4-aminobenzoate
- English name
- 2-(Dimethylamino)-1-phenylethyl=p-aminobenzoate
- Molecular formula
- C17H20N2O2
- Molecular weight
- 284.35
Names & synonyms
67031-48-5BENZOIC ACID, p-AMINO-, (2-(DIMETHYLAMINO)-1-PHENYL)ETHYL ESTERRefChem:1079268BRN 3380668beta-4-Aminobenzoyloxy-beta-phenylethyl dimethylaminep-Aminobenzoic acid (2-(dimethylamino)-1-phenyl)ethyl ester2-(dimethylamino)-1-phenylethyl 4-aminobenzoate4-14-00-01145 (Beilstein Handbook Reference)DTXSID409859232-(Dimethylamino)-1-phenylethyl=p-aminobenzoateBenzenemethanol, α-[(dimethylamino)methyl]-, 1-(4-aminobenzoate)
Database identifiers
- CAS
67031-48-5- PubChem CID
- 48908
- DTXSID
DTXSID40985923- Nikkaji
- J73.833F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 426.85 °C · 426.85°C (rough estimate)
- Density
- 1.0587 · 1.0587 (rough estimate)
- refractive index
- 1.5486 · 1.5486 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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