Basic information
- CAS
128649-34-3- Standard SMILES
CC(=O)N1c2ccccc2C(=O)CC1C- InChIKey
GRMBWHSWBPDLBU-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 4(1H)-Quinolinone, 1-acetyl-2,3-dihydro-2-methyl-
- IUPAC
- 1-acetyl-2-methyl-2,3-dihydroquinolin-4-one
- English name
- 1-acetyl-2-methyl-2,3-dihydroquinolin-4(1H)-one
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
128649-34-34(1H)-Quinolinone, 1-acetyl-2,3-dihydro-2-methyl-DTXSID80343407RefChem:283692DTXCID002944871-acetyl-2-methyl-2,3-dihydroquinolin-4(1H)-one1-acetyl-2-methyl-2,3-dihydroquinolin-4-oneMFCD283662331-acetyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-one1-Acetyl-2-methyl-2,3-dihydro-4(1H)-quinolinoneSCHEMBL2212501-Acetyl-4-oxo-2-methyl-1,2,3,4-tetrahydroquinoline
Show more names
1-acetyl-2-methyl-2,3-dihydroquinolin-4(1H)-one(WXC05009)
AKOS027429079AS-68112CS-0037782W12931
Database identifiers
- CAS
128649-34-3- PubChem CID
- 589563
- DTXSID
DTXSID80343407- Nikkaji
- J2.777.086J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 120 · 120-122 °C
- Boiling point
- 417.1 · 417.1±34.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- -1.56 · -1.56±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
苏州迪飞医药科技有限公司18651107528 18651107528 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
7 records
Compound notes
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