Basic information
- CAS
3376-50-9- Standard SMILES
Cc1cc(C)[n+]([O-])c(C)c1- InChIKey
QBNLGSOBSNKMBN-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- Pyridine, 2,4,6-trimethyl-, 1-oxide
- IUPAC
- 2,4,6-trimethyl-1-oxidopyridin-1-ium
- English name
- 2,4,6-trimethylpyridine 1-oxide
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
2,4,6-Trimethylpyridine 1-oxide3376-50-9RefChem:1097269DTXCID701722797DTXSID201292220Pyridine, 2,4,6-trimethyl-, 1-oxide222-169-12,4,6-trimethyl-1-oxidopyridin-1-iumNSC6162562,4,6-trimethylpyridine1-oxide2,4,6-collidine-N-oxideSCHEMBL667047
Show more names
Einecs 222-169-1Abiraterone Impurity 86
QBNLGSOBSNKMBN-UHFFFAOYSA-N2,4,6-trimethyl-pyridine 1-oxide2,4,6-trimethyl-pyridine-1-oxideAKOS004906924pyridine 1-oxide, 2,4,6-trimethyl-NSC-6162562,4,6-trimethyl-1-oxido-pyridin-1-iumNS00049869
Database identifiers
- CAS
3376-50-9- PubChem CID
- 76904
- DTXSID
DTXSID201292220- EC Number
- 222-169-1
- Nikkaji
- J205.463I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 45 · 45-46 °C
- Boiling point
- 118 °C · 118 °C(Press: 2 Torr)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 1 · pK1:1.990(+1) (25°C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
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]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
济南凯西生物科技有限公司13370511208 15853141736 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
苏州阿德莱德化工科技有限公司15995785122 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
无锡仁一新材料科技有限责任公司13306222239 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
Related reactions
9 records
Compound notes
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