Basic information
- CAS
39718-90-6- Standard SMILES
C#CCNc1ccc(C(C)C(=O)O)cc1- InChIKey
JTHXGHBJEFBHEW-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-(2-propynylamino)phenyl)-
- IUPAC
- 2-[4-(prop-2-ynylamino)phenyl]propanoic acid
Names & synonyms
39718-90-6BRN 23714032-(4-(Propargylamino)phenyl)propionic acidPropionic acid, 2-(4-(2-propynylamino)phenyl)-Acide (propargylamino-4 phenyl)-2 propionique [French]Acide (propargylamino-4 phenyl)-2 propioniqueRefChem:375126SCHEMBL11795673DTXSID009603172-{4-[(Prop-2-yn-1-yl)amino]phenyl}propanoic acid
Database identifiers
- CAS
39718-90-6- PubChem CID
- 217832
- DTXSID
DTXSID00960317
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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