Basic information
- CAS
55133-90-9- Standard SMILES
CC(=O)OC(c1ccccc1)C(C)N(C)C(C)=O- InChIKey
DISCLSGXBAXBTJ-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- 2-[Acetyl(methyl)amino]-1-phenylpropyl acetate
- IUPAC
- [2-[acetyl(methyl)amino]-1-phenylpropyl] acetate
- English name
- Acetic acid 2-(acetylmethylamino)-1-phenylpropyl ester
- Molecular formula
- C14H19NO3
- Molecular weight
- 249.31
Names & synonyms
55133-90-92-[Acetyl(methyl)amino]-1-phenylpropyl acetatediacetylpseudoephedrine2-(N-methylacetamido)-1-phenylpropyl acetateAcetic acid 2-(acetylmethylamino)-1-phenylpropyl esterSCHEMBL15939747DTXSID80701260DISCLSGXBAXBTJ-UHFFFAOYSA-NDB-318532Acetamide, N-[2-(acetyloxy)-1-methyl-2-phenylethyl]-N-methyl-
Database identifiers
- CAS
55133-90-9- PubChem CID
- 547367
- DTXSID
DTXSID80701260- Nikkaji
- J102.975D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 168 °C · 168 °C(Press: 3 Torr)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- -0.65 · -0.65±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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