methyl 3-(N-methylanilino)propanoate
Basic information
- CAS
40445-29-2- Standard SMILES
COC(=O)CCN(C)c1ccccc1- InChIKey
CQGQGDWHIPDSIQ-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- methyl 3-(N-methylanilino)propanoate
- IUPAC
- methyl 3-(N-methylanilino)propanoate
- English name
- methyl 3-[methyl(phenyl)amino]propanoate
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
methyl 3-(N-methylanilino)propanoate40445-29-2DTXSID10320049RefChem:354771DTXCID00271172NSC354288METHYL 3-[METHYL(PHENYL)AMINO]PROPANOATESCHEMBL6554124SCHEMBL9191054SCHEMBL11331220CQGQGDWHIPDSIQ-UHFFFAOYSA-NN-2-carbomethoxyethyl-N-methylaniline
Show more names
β-Alanine, N-methyl-N-phenyl-, methyl ester
AKOS009086616NSC-354288Methyl N-methyl-N-phenyl-beta-alaninate
Database identifiers
- CAS
40445-29-2- PubChem CID
- 337190
- DTXSID
DTXSID10320049- Nikkaji
- J2.511.232F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 70 · 70-74 °C(Press: 0.001 Torr)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 5.17 · 5.17±0.50(Predicted)
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Related reactions
2 records
Compound notes
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