Basic information
- CAS
94-38-2- Standard SMILES
CCN(CC)CCC(=O)c1ccccc1- InChIKey
YZTCGYARZGKANI-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 3-(Diethylamino)propiophenone
- IUPAC
- 3-(diethylamino)-1-phenylpropan-1-one
- English name
- 3-(diethylamino)propiophenone
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
3-(diethylamino)-1-phenylpropan-1-one94-38-23-(Diethylamino)propiophenone1-Propanone, 3-(diethylamino)-1-phenyl-DiethylaminopropiophenonePropiophenone, 3-(diethylamino)-3-Diethylaminopropiophenone3-Diethylamino-1-phenyl-propan-1-one3-(Diethylamino)-1-phenyl-1-propanoneCHEMBL130526NSC287355.beta.-N,N'-Diethylaminopropiophenone
Show more names
1-Phenyl-3-(diethylamino)-1-propanone3-(diethylamino)-1-phenylpropan-1-one HCl
NSC-2873553-(diethylamino)-1-phenyl-propan-1-oneNSC322068NSC 287355EINECS 202-329-7NSC 3220681-Propanone,3-(diethylamino)-1-phenyl-8SBE3AMK5D
Database identifiers
- CAS
94-38-2- PubChem CID
- 66749
- DTXSID
DTXSID60240187- ChEMBL
CHEMBL130526- UNII
- 8SBE3AMK5D
- EC Number
- 202-329-7
- Nikkaji
- J182.102D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
LogP1.59
Physicochemical properties
- Melting point
- 105 · 105-108 °C
- Boiling point
- 164 °C · 164 °C(Press: 1 Torr)
- Density
- 0.974 · 0.974±0.06 g/cm3(Predicted)
- pka
- 9.73 · 9.73±0.25(Predicted)
- FDA UNII
- 8 SBE3AMK5D · 8SBE3AMK5D
Chemistry & industry
Suppliers5 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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