Basic information
- CAS
39718-74-6- Standard SMILES
C=CCNc1ccc(C(C)C(=O)O)cc1- InChIKey
UPNBDHDPMYTOHW-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-(allylamino)phenyl)-
- IUPAC
- 2-[4-(prop-2-enylamino)phenyl]propanoic acid
- English name
- 2-(4-((2-Propenyl)amino)phenyl)propionic acid
- Molecular weight
- 0
Names & synonyms
39718-74-62-(4-(Allylamino)phenyl)propionic acidBRN 2371406Propionic acid, 2-(4-(allylamino)phenyl)-2-(4-((2-Propenyl)amino)phenyl)propionic acidAcide (aminoallyl-4 phenyl)-2 propionique [French]Acide (aminoallyl-4 phenyl)-2 propioniqueRefChem:3751352-(4-(Allylamino)phenyl)propanoic acid2-(4-((2-propenyl)amino)phenyl)Propanoic acid2-{4-[(Prop-2-en-1-yl)amino]phenyl}propanoic acidSCHEMBL10429630
Show more names
DTXSID809603102-(p-allylaminophenyl) pro-pionic acid
Database identifiers
- CAS
39718-74-6- PubChem CID
- 217826
- DTXSID
DTXSID80960310- Nikkaji
- J92.631K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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