Basic information
- CAS
1076-28-4- Standard SMILES
Cc1ccc2ccccc2[n+]1[O-]- InChIKey
FZJUONUBFWNHNU-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- Quinaldine, 1-oxide
- IUPAC
- 2-methyl-1-oxidoquinolin-1-ium
- English name
- 2-Methylquinoline 1-oxide
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
2-Methylquinoline N-oxide2-Methylquinoline 1-oxide1076-28-4Quinaldine, 1-oxideQuinoline, 2-methyl-, 1-oxideS6BP8D3HUXNSC-115791NSC-193529DTXSID20148110RefChem:1097754DTXCID0070601Quinaldine N-oxide
Show more names
Bedaquiline Impurity 39
2-methyl-1-oxidoquinolin-1-iumQuinaldine 1-oxideMFCD01793857Quinaldine, 1-oxide (8CI)NSC 115791NSC 1935292-MethylquinolineN-oxideSCHEMBL5926577
Database identifiers
- CAS
1076-28-4- PubChem CID
- 97325
- DTXSID
DTXSID20148110- ChEMBL
CHEMBL3187574- UNII
- S6BP8D3HUX
- Nikkaji
- J129.291I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 65 to · 65.0 to 69.0 °C
- Boiling point
- 315 · 315.0±35.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 1.27 · 1.27±0.30(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- λmax
- 319 nm · 319nm(EtOH)(lit.)
- FDA UNII
- 6 BP8D3HUX · S6BP8D3HUX
- HS Code
- 2933.49 · 2933.49.7000
Safety & regulation
Safety data
- hs_code
- 2933.49.7000
Chemistry & industry
Applications
Uses2-Methylquinoline 1-oxide is an aromatic heterocyclic compound , which is mainly used in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers39 total
河北凡博医药科技有限公司15588346797
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
河北凡博医药科技有限公司15832170903 · [email protected]
苏州启航生物科技有限公司18151111370
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
1 records
Compound notes
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