Basic information
- CAS
606-43-9- Standard SMILES
Cn1c(=O)ccc2ccccc21- InChIKey
QYEMNJMSULGQRD-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Methyl-2-quinolone
- IUPAC
- 1-methylquinolin-2-one
- English name
- 1-Methyl-2-quinolinone
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
606-43-91-Methyl-2-quinoloneN-Methylcarbostyril1-methylquinolin-2-one1-Methyl-2(1H)-quinolinone1-MethylcarbostyrilCarbostyril, 1-methyl-1-methyl-1,2-dihydroquinolin-2-one2(1H)-Quinolinone, 1-methyl-1-Methyl-2(1H)-quinoloneN-methyl-2-quinoloneUQ470VV48X
Show more names
1-Methylquinolin-2(1H)-oneAKOS 213-121Carbostyril,1-methyl-
NSC 5873NSC-5873AI3-24119DTXSID1060552RefChem:434088Carbostyril, 1-methyl-(8CI)DTXCID3042843622-684-5
Database identifiers
- CAS
606-43-9- PubChem CID
- 11820
- DTXSID
DTXSID1060552- ChEMBL
CHEMBL216146- UNII
- UQ470VV48X
- EC Number
- 622-684-5
- Nikkaji
- J96.125F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical shift
LogP1.45
Physicochemical properties
- Melting point
- 74 · 74-76°C
- Boiling point
- 284.68 °C · 284.68°C (rough estimate)
- Density
- 1.1202 · 1.1202 (rough estimate)
- refractive index
- 1.607 · 1.6070 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.49 · 0.49±0.20(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 121318 · 121318
- CAS DataBase Reference
- 606 · 606-43-9(CAS DataBase Reference)
- FDA UNII
- 470 VV48X · UQ470VV48X
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Quinolinone, 1-methyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers38 total
宁波振岳医药科技有限公司19817745290 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
Related reactions
4 records
Compound notes
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