beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-(2-hydroxyethyl)-, ethyl ester
Basic information
- CAS
68083-29-4- Standard SMILES
CCOC(=O)CCN(CCO)c1cc(NC(C)=O)ccc1OC- InChIKey
ARIQQHZBLXZETR-UHFFFAOYSA-N- Molecular formula
- C16H24N2O5
- Average molar mass
- 324.37 g/mol
- Monoisotopic mass
- 324.16852187
Names & identifiers
- Preferred name
- beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-(2-hydroxyethyl)-, ethyl ester
- IUPAC
- ethyl 3-[5-acetamido-N-(2-hydroxyethyl)-2-methoxyanilino]propanoate
- English name
- ethyl N-[5-(acetylamino)-2-methoxyphenyl]-N-(2-hydroxyethyl)-beta-alaninate
- Molecular formula
- C16H24N2O5
- Molecular weight
- 324.37
Names & synonyms
EINECS 268-378-1DTXSID40710533-((2-Hydroxyethyl)(5-acetamido-2-methoxyphenyl)amino)propionic acid, ethyl ester.beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-N-(2-hydroxyethyl)-, ethyl esterbeta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-(2-hydroxyethyl)-, ethyl esterbeta-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-N-(2-hydroxyethyl)-, ethyl esterRefChem:567196DTXCID804548668083-29-4ARIQQHZBLXZETR-UHFFFAOYSA-NNS00036392Ethyl N-(5-acetamido-2-methoxyphenyl)-N-(2-hydroxyethyl)-beta-alaninate
Show more names
ethyl N-[5-(acetylamino)-2-methoxyphenyl]-N-(2-hydroxyethyl)-beta-alaninateN-[5-(Acetylamino)-2-methoxyphenyl]-N-(2-hydroxyethyl)-β-alanine ethyl esterβ-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-N-(2-hydroxyethyl)-, ethyl ester
Ethyl N-(5-(acetylamino)-2-methoxyphenyl)-N-(2-hydroxyethyl)-beta-alaninate
Database identifiers
- CAS
68083-29-4- PubChem CID
- 176205
- DTXSID
DTXSID4071053- EC Number
- 268-378-1
- Nikkaji
- J289.004F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- EPA Substance Registry System
- 5 · .beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-N-(2-hydroxyethyl)-, ethyl ester (68083-29-4)
- 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]-N-(2-hydroxyethyl)-, ethyl ester: INACTIVE
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Compound notes
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