Basic information
- CAS
2124-31-4- Standard SMILES
CC(=O)c1ccc(N(C)C)cc1- InChIKey
HUDYANRNMZDQGA-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 4-Dimethylaminoacetophenone
- IUPAC
- 1-[4-(dimethylamino)phenyl]ethanone
- English name
- 4'-DIMETHYLAMINOACETOPHENONE
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
2124-31-44'-Dimethylaminoacetophenone1-(4-(dimethylamino)phenyl)ethanone1-[4-(Dimethylamino)phenyl]ethanonep-Dimethylaminoacetophenone4-DimethylaminoacetophenoneEthanone, 1-[4-(dimethylamino)phenyl]-p-(dimethylamino)acetophenone4'-(N,N-Dimethylamino)acetophenone4-acetyl-N,N-dimethylanilineN8EZQ5S1GC4-N,N-Dimethylaminoacetophenone
Show more names
1-(4-Dimethylamino-phenyl)-ethanoneTIMTEC-BB SBB007875P-Acetyl-N,N-DimethylanilineN,N-Dimethylaminoacetophenone4'-N,N-Dimethylaminoacetophenop-N,N-DimethylaminoacetophenoneN,N-dimethyl-4-aminoacetophnone
Ethanone, 1-(4-(dimethylamino)phenyl)-p-(N,N-Dimethylamino)acetophenoneUNII-N8EZQ5S1GCNSC-74022DTXSID9062192NSC 74022RefChem:98768DTXCID8036449
Database identifiers
- CAS
2124-31-4- PubChem CID
- 75037
- DTXSID
DTXSID9062192- ChEMBL
CHEMBL256867- UNII
- N8EZQ5S1GC
- EC Number
- 642-894-0
- Nikkaji
- J71.687A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 105 °C · 105°C
- Boiling point
- 172 · 172-175 °C(Press: 11 Torr)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 2.16 · 2.16±0.12(Predicted)
- color
- White to Yellow to Orange
- InChI
- InChI=1S/C10H13NO/c1-8(12)9-4-6-10(7-5-9)11(2)3/h4-7H,1-3H3
- InChIKey
- HUDYANRNMZDQGA-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(N(C)C)C=C1)C
- CAS DataBase Reference
- 2124 · 2124-31-4(CAS DataBase Reference)
- FDA UNII
- 8 EZQ5S1GC · N8EZQ5S1GC
- EPA Substance Registry System
- 4 · 4-Dimethylaminoacetophenone (2124-31-4)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-[4-(dimethylamino)phenyl]-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2922390090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-[4-(dimethylamino)phenyl]-: INACTIVE
Applications
Uses4''-Dimethylaminoacetophenone
Upstream & downstream products
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司
Related reactions
16 records
Compound notes
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