Basic information
- CAS
1201-93-0- Standard SMILES
CN(C)C=CC(=O)c1ccccc1- InChIKey
HUTKDPINCSJXAA-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-phenyl-2-propen-1-one
- IUPAC
- 3-(dimethylamino)-1-phenylprop-2-en-1-one
- English name
- 3-(Dimethylamino)-1-phenyl-2-propen-1-one
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
3-(dimethylamino)-1-phenyl-2-propen-1-one2-Propen-1-one, 3-(dimethylamino)-1-phenyl-3-(dimethylamino)acrylophenoneMLS000696182SCHEMBL4253383-dimethylamino-1-phenyl-propenoneEN300-1808252-propen-1-one, 3-(dimethylamino)-1-phenyl-,(E)-3-(DIMETHYLAMINO)-1-PHENYL-2-PROPEN-1-ONE3-dimethylaminoacrylophenoneSCHEMBL446006SCHEMBL27654259
Show more names
3-(Dimethylamino)-1-phenylprop-2-en-1-oneNSC 6018333-(Dimethylamino)phenylpropenone3-Dimethylamino-1-phenylpropenone3-(N,N-Dimethylamino)-1-phenyl-2-propen-1-one(2E)-3-(Dimethylamino)-1-phenylprop-2-en-1-one3 - (dimethylamino) - 1 - (2-phenyl) - 2-propene-1-one
HUTKDPINCSJXAA-UHFFFAOYSA-NDTXSID801379969AMY11913AKOS017382101DB-016675D53843-(dimethylamino)-1-phenyl-prop-2-en-1-one
Database identifiers
- CAS
1201-93-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 91 · 91-93°C
- Boiling point
- 260 · 260.0±32.0 °C(Predicted)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 6.63 · 6.63±0.70(Predicted)
- color
- White to Yellow to Green
- λmax
- 325 nm · 325nm(lit.)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 228 · H228
- Precautionary statements
- 240 · P240-P210-P241-P280-P370+P378
Safety & regulation
Safety data
- hs_code
- 2922390090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H228
- Precautionary statements
- P240-P210-P241-P280-P370+P378
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers74 total
上海康恩博医药科技有限公司17510465506 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
33 records
Compound notes
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