Basic information
- CAS
54197-66-9- Standard SMILES
O=C1CCc2cc(O)ccc2N1- InChIKey
HOSGXJWQVBHGLT-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone
- IUPAC
- 6-hydroxy-3,4-dihydro-1H-quinolin-2-one
- English name
- 6-Hydroxy-2(1H)-3,4-dihydroquinolinone
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
54197-66-96-Hydroxy-3,4-dihydro-2(1H)-quinolinone6-Hydroxy-3,4-dihydro-1H-quinolin-2-one6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline3,4-Dihydro-6-hydroxy-2(1H)-quinolinone3,4-Dihydro-6-hydroxycarbostyril6-hydroxy-3,4-dihydrocarbostyril2(1H)-Quinolinone, 3,4-dihydro-6-hydroxy-2C5NDT39OCUNII-2C5NDT39OC6-hydroxy-1,2,3,4-tetrahydro-2-quinolinone2-Oxo-1,2,3,4-tetrahydroquinolin-6-ol
Show more names
Cilostazol Related CoMpound AQ-26-HQin-2(1H)-oneAURORA KA-48146-Hydroxy-2-oxo-1
DTXSID60202548EC 611-111-43,4-Dihydro-6-hydroxyquinolin-2(1H)-oneRefChem:104715DTXCID901250396-hydroxy-2-oxo-1,2,3,4-tetrahydro quinoline611-111-46-hydroxy-3,4-dihydroquinolin-2(1H)-one
Database identifiers
- CAS
54197-66-9- PubChem CID
- 2774040
- DTXSID
DTXSID60202548- ChEMBL
CHEMBL2430710- UNII
- 2C5NDT39OC
- EC Number
- 611-111-4
- Nikkaji
- J28.253G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 236 · 236-240 °C
- Boiling point
- 424.5 · 424.5±45.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- solid
- pka
- 9.86 · 9.86±0.20(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)
- InChIKey
- HOSGXJWQVBHGLT-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(O)C=C2)CCC1=O
- CAS DataBase Reference
- 54197 · 54197-66-9(CAS DataBase Reference)
- FDA UNII
- 2 C5NDT39OC · 2C5NDT39OC
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 17-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33386
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933790002
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
UsesA metabolite of Cilostazole.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
60 records
Compound notes
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