N-(4-Formylphenyl)-N-methyl-beta-alanine
Basic information
- CAS
27425-56-5- Standard SMILES
CN(CCC(=O)O)c1ccc(C=O)cc1- InChIKey
MHNBHSBXTJIZFG-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- N-(4-Formylphenyl)-N-methyl-beta-alanine
- IUPAC
- 3-(4-formyl-N-methylanilino)propanoic acid
Names & synonyms
27425-56-5N-(4-Formylphenyl)-N-methyl-beta-alanineRefChem:3619993-((4-formylphenyl)(methyl)amino)propanoic acid3-[(4-formylphenyl)(methyl)amino]propanoic acidMFCD06208354SCHEMBL8384383DTXSID601286578AS-96283N-(4-Formylphenyl)-N-methyl-|A-alanineSY420610?-Alanine, N-(4-formylphenyl)-N-methyl-
Show more names
|A-Alanine, N-(4-formylphenyl)-N-methyl-3-(4-formyl-N-methyl-anilino)propanoic acidbeta-Alanine, N-(4-formylphenyl)-N-methyl-CS-0260574N-(4-Formylphenyl)-N-methyl-I(2)-alanineG70886EN300-7543476F672326
Database identifiers
- CAS
27425-56-5- PubChem CID
- 22906239
- DTXSID
DTXSID601286578- EC Number
- 877-197-2
- Nikkaji
- J3.519.511D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
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Related reactions
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Compound notes
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