N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
Basic information
- CAS
462068-45-7- Standard SMILES
Nc1ccc(NC(=O)CCN2CCOCC2)cc1- InChIKey
PVFYJAYURTWSDF-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Names & identifiers
- Preferred name
- N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
- IUPAC
- N-(4-aminophenyl)-3-morpholin-4-ylpropanamide
- English name
- N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
- Molecular formula
- C13H19N3O2
- Molecular weight
- 249.31
Names & synonyms
462068-45-7N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamideN-(4-Aminophenyl)-3-morpholinopropanamideN-(4-aminophenyl)-3-morpholin-4-ylpropanamideN-(4-aminophenyl)-3-(morpholin-4-yl)propanamideN-(4-Aminophenyl)-3-morpholino-propanamideBAS 03247107MFCD02737888TimTec1_007049Oprea1_341046Oprea1_870734MLS001212992
Show more names
4-Morpholinepropanamide, N-(4-aminophenyl)-
SCHEMBL4749808CHEMBL1560673DTXSID30357130HMS1554A09HMS2841E23AKOS000134998SMR000518442CS-0323104
Database identifiers
- CAS
462068-45-7- PubChem CID
- 844901
- DTXSID
DTXSID30357130- ChEMBL
CHEMBL1560673
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Solubility34.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 144 · 144-146 °C
- Boiling point
- 411.4 · 411.4±35.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.44 · 14.44±0.70(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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