Basic information
- CAS
2298-48-8- Standard SMILES
O=C(CCN1CCOCC1)c1ccccc1- InChIKey
FUFXUDYTHVEYBS-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 3-Morpholino-1-phenylpropan-1-one
- IUPAC
- 3-morpholin-4-yl-1-phenylpropan-1-one
- English name
- 3-morpholino-1-phenylpropan-1-one
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
3-morpholino-1-phenylpropan-1-one2298-48-8DTXSID60328232RefChem:281239DTXCID001986183-morpholin-4-yl-1-phenylpropan-1-one3-(morpholin-4-yl)-1-phenylpropan-1-oneCHEMBL1588357beta-Morpholinopropiophenone3-morpholinopropiophenone1-Propanone, 3-(4-morpholinyl)-1-phenyl-Cambridge id 5222358
Show more names
3-(4-Morpholinyl)-1-phenyl-1-propanone3-MORPHOLINO-1-PHENYLPROPAN-1-ONE(WXG01018)3-(4-morpholin-4-iumyl)-1-phenyl-1-propanone
Oprea1_868357CBDivE_010108SCHEMBL3213694UW7Q7L8C3CHEMBL1625182SCHEMBL28424776CAA29848BDBM50467304
Database identifiers
- CAS
2298-48-8- PubChem CID
- 408261
- DTXSID
DTXSID60328232- ChEMBL
CHEMBL1588357、CHEMBL1625182- UNII
- 4UW7Q7L8C3
- Nikkaji
- J342.888E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
LogP1.24
Physicochemical properties
- Melting point
- 178 · 178-180℃
- Boiling point
- 356.9 · 356.9±27.0 °C(Predicted)
- Density
- 1.085 · 1.085
- storage temp.
- 2 · 2-8°C
- pka
- 6.58 · 6.58±0.10(Predicted)
Chemistry & industry
Suppliers4 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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