Basic information
- CAS
65086-93-3- Standard SMILES
COC(=O)CCNc1cc(NC(C)=O)ccc1OC- InChIKey
QYWBJEGBJDVLMJ-UHFFFAOYSA-N- Molecular formula
- C13H18N2O4
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.12665706
Names & identifiers
- Preferred name
- beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester
- IUPAC
- methyl 3-(5-acetamido-2-methoxyanilino)propanoate
- English name
- methyl N-[5-(acetylamino)-2-methoxyphenyl]-beta-alaninate
- Molecular formula
- C13H18N2O4
- Molecular weight
- 266.29
Names & synonyms
EINECS 265-386-7DTXSID7070189.beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, methyl ester3'-(2-Carbomethoxyethyl)amino-4'-methoxyacetanilidebeta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl esterbeta-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, methyl esterRefChem:567194DTXCID804446065086-93-3Methyl N-(5-(acetylamino)-2-methoxyphenyl)-beta-alaninateQYWBJEGBJDVLMJ-UHFFFAOYSA-NNS00035790
Show more names
methyl N-[5-(acetylamino)-2-methoxyphenyl]-beta-alaninateβ-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, methyl ester3-(5-Acetylamino-2-methoxyanilino)propionic acid methyl ester
Methyl N-(5-acetamido-2-methoxyphenyl)-beta-alaninate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 478.2 · 478.2±45.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 14.24 · 14.24±0.70(Predicted)
- EPA Substance Registry System
- 5 · .beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, methyl ester (65086-93-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information.beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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