Basic information
- CAS
18992-80-8- Standard SMILES
CC(=O)c1cccc(N(C)C)c1- InChIKey
KYEMJVGXLJXCSM-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 1-(3-(Dimethylamino)phenyl)ethan-1-one
- IUPAC
- 1-[3-(dimethylamino)phenyl]ethanone
- English name
- 3'-DIMETHYLAMINOACETOPHENONE
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
1-[3-(dimethylamino)phenyl]ethan-1-one1-(3-(Dimethylamino)phenyl)ethan-1-oneRefChem:423137108-300-418992-80-83'-Dimethylaminoacetophenone3-DIMETHYLAMINOACETOPHENONE1-[3-(dimethylamino)phenyl]ethanoneEthanone, 1-[3-(dimethylamino)phenyl]-1-(3-(Dimethylamino)phenyl)ethanoneMFCD00059343SCHEMBL334924
Show more names
Dimethylaminoacetophenone3-(n,n-Diethylamino)acetophenone3'-Dimethylaminoacetophenone >3-(N,N-DIMETHYLAMINO)ACETOPHENONE1-Acetyl-3-(dimethylamino)benzene1-(Dimethylamino)-3-acetylbenzene
DTXSID20334091AS-63614D86483EN300-12444021-[3-(Dimethylamino)phenyl]ethanone, AldrichCPR1-(3-DIMETHYLAMINO-PHENYL)-ETHANONEm-DimethylaminoacetophenoneEthanone,1-[3-(dimethylamino)phenyl]-
Database identifiers
- CAS
18992-80-8- PubChem CID
- 519620
- DTXSID
DTXSID20334091- EC Number
- 108-300-4
- Nikkaji
- J208.354J
Properties
Computed structural properties
- XLogP
- 2
- 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
- 165
Physicochemical properties
- Melting point
- 37 °C · 37°C
- Boiling point
- 290.31 °C · 290.31°C (rough estimate)
- Density
- 1.0508 · 1.0508 (rough estimate)
- refractive index
- 1.5718 · 1.5718 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.7 · 3.70±0.10(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light orange to Yellow
- InChI
- 1S/C10H13NO/c1-8(12)9-5-4-6-10(7-9)11(2)3/h4-7H,1-3H3
- InChIKey
- KYEMJVGXLJXCSM-UHFFFAOYSA-N
- SMILES
- CN(C)c1cccc(c1)C(C)=O
- CAS DataBase Reference
- 18992 · 18992-80-8
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2922390090
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers47 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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