Basic information
- CAS
2089-20-5- Standard SMILES
CC(=O)c1ccccc1OCCN(C)C- InChIKey
PKEROHUSQKVCKS-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Acetophenone, 2'-(2-(dimethylamino)ethoxy)-
- IUPAC
- 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone
- English name
- 1-[2-(2-dimethylaminoethoxy)phenyl]ethanone
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
2089-20-5ACETOPHENONE, 2'-(2-(DIMETHYLAMINO)ETHOXY)-BRN 19616862'-(2-(Dimethylamino)ethoxy)acetophenoneDTXSID901750344-08-00-00322 (Beilstein Handbook Reference)RefChem:316879DTXCID10975251-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone1-[2-(2-DIMETHYLAMINOETHOXY)PHENYL]ETHANONE1-(2-(2-dimethylaminoethoxy)phenyl)ethanoneEthanone, 1-[2-[2-(dimethylamino)ethoxy]phenyl]-
Show more names
Ethanone,1-[2-[2-(dimethylamino)ethoxy]phenyl]-SCHEMBL6669660PKEROHUSQKVCKS-UHFFFAOYSA-NAKOS0001739871-[2-(2-dimethylamino-ethoxy)-phenyl]-ethanone1-{2-[2-(Dimethylamino)ethoxy]phenyl}ethan-1-one
Database identifiers
- CAS
2089-20-5- PubChem CID
- 16403
- DTXSID
DTXSID90175034
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 145 · 145-147 °C(Press: 11 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 8.61 · 8.61±0.28(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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