Basic information
- CAS
4295-36-7- Standard SMILES
O=C1CCNc2ccccc21- InChIKey
BUWPZNOVIHAWHW-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 2,3-dihydroquinolin-4(1H)-one
- IUPAC
- 2,3-dihydro-1H-quinolin-4-one
- English name
- 2,3-Dihydro-1H-quinolin-4-one
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
2,3-dihydroquinolin-4(1H)-oneRefChem:9086374295-36-72,3-dihydro-1H-quinolin-4-one1,2,3,4-TETRAHYDROQUINOLIN-4-ONEMFCD006663942,3-dihydro-4(1H)-quinolinone4(1H)-QUINOLINONE, 2,3-DIHYDRO-2,3-dihydro-4-quinoloneOprea1_507697Oprea1_697248SCHEMBL68581
Show more names
AKOS 930292,3-Dihydro-4(1H)-quinolone2,3-DIHYDRO-1H-QUINOLINE-4-ONE1,2,3,4-Tetrahydro-4-quinolone1,2,3,4-Tetrahydro-4-quinolinone
SCHEMBL209077SCHEMBL294566SCHEMBL2088396SCHEMBL3352289SCHEMBL3352434SCHEMBL33540492,3-dihydro-4-hydroxyquinolineCHEMBL4584531
Database identifiers
- CAS
4295-36-7- PubChem CID
- 117158
- DTXSID
DTXSID30276195- ChEMBL
CHEMBL4584531- Nikkaji
- J291.089F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 44 °C · 44 °C
- Boiling point
- 195 °C · 195 °C(Press: 20 Torr)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.68 · 2.68±0.20(Predicted)
- color
- White to Yellow to Orange
- InChI
- InChI=1S/C9H9NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-4,10H,5-6H2
- InChIKey
- BUWPZNOVIHAWHW-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(=O)CC1
- CAS DataBase Reference
- 4295 · 4295-36-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933.49.7000
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,3-Dihydro-1H-quinolin-4-one is a beta-adrenergic blocking agents.
Upstream & downstream products
Downstream products
Suppliers100 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
16 records
Compound notes
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