Basic information
- CAS
39718-73-5- Standard SMILES
CC(C)Nc1ccc(C(C)C(=O)O)cc1- InChIKey
JPWJQNMYXIHCRT-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-(isopropylamino)phenyl)-
- IUPAC
- 2-[4-(propan-2-ylamino)phenyl]propanoic acid
- English name
- Propionic acid, 2-(4-(isopropylamino)phenyl)-
- Molecular weight
- 0
Names & synonyms
39718-73-5BRN 23702642-(4-(Isopropylamino)phenyl)propionic acidPropionic acid, 2-(4-(isopropylamino)phenyl)-Acide (isopropylamino-4 phenyl)-2 propionique [French]Acide (isopropylamino-4 phenyl)-2 propioniqueRefChem:3751402-{4-[(propan-2-yl)amino]phenyl}propanoic acidSCHEMBL11804282DTXSID70960309
Database identifiers
- CAS
39718-73-5- PubChem CID
- 217825
- DTXSID
DTXSID70960309- Nikkaji
- J92.690F
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 208
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…