Basic information
- CAS
1846-33-9- Standard SMILES
CC(=O)NCC(=O)c1ccccc1- InChIKey
PKAGJSPRMNFMPN-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- n-(2-Oxo-2-phenylethyl)acetamide
- IUPAC
- N-phenacylacetamide
- English name
- N-(2-Oxo-2-phenylethyl)acetamide
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
n-(2-oxo-2-phenylethyl)acetamide1846-33-9N-phenacylacetamideN-(2-oxo-2-phenyl-ethyl)-acetamide2-AcetylaminoacetophenoneNSC173932-acetamido acetophenoneSCHEMBL1945591DTXSID00280542PKAGJSPRMNFMPN-UHFFFAOYSA-NMFCD19313693NSC-17393
Show more names
2-Acetaminophen ketoneAcetylaminoacetophenoneUbenimex intermediate-3Acetamide, N-(2-oxo-2-phenylethyl)-
AKOS014313422N-(1-oxo-1-phenylethan-2-yl)acetamideAC-22358CS-0448719
Database identifiers
- CAS
1846-33-9- PubChem CID
- 226684
- DTXSID
DTXSID00280542- Nikkaji
- J938.786B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 86.8 · 86.8-88.2 °C(Solv: benzene (71-43-2); hexane (110-54-3))
- Boiling point
- 393.3 · 393.3±25.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- pka
- 14.7 · 14.70±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers23 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
成都傲飞生物化学品有限责任公司+86-028-60911900 13540204019 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
越林试剂021-62960152 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
湖北康鑫源顺医药化工有限公司
Related reactions
14 records
Compound notes
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