Basic information
- CAS
64038-03-5- Standard SMILES
Cc1cc(C)n(C)c(=O)c1C#N- InChIKey
YHNFRZWVZUMYEJ-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931294
Names & identifiers
- Preferred name
- Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-
- IUPAC
- 1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
- English name
- 1,4,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
64038-03-5NICOTINONITRILE, 1,2-DIHYDRO-2-OXO-1,4,6-TRIMETHYL-DTXSID90214058RefChem:1092409DTXCID901365491,4,6-trimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile1,4,6-trimethyl-2-oxopyridine-3-carbonitrileMFCD008290591,4,6-trimethyl-2-oxohydropyridine-3-carbonitrileBRN 0130708NSC403844
Show more names
1,2-dihydro-2-oxo-1,4,6-trimethyl-nicotinonitril1,2-Dihydro-2-oxo-1,4,6-trimethylnicotinonitrile1,2-Dihydro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile3-Pyridinecarbonitrile, 1,2-dihydro-1,4,6-trimethyl-2-oxo-1,4,6-trimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile(SALTDATA: FREE)
Nicotinonitrile, 1,2-dihydro-1,4,6-trimethyl-2-oxo-Maybridge1_0021334-22-00-02988 (Beilstein Handbook Reference)MLS000763388F3250-0710orb3030189CHEMBL1414441SCHEMBL11053752
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
Solubility>24.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 202 · 202-204°
- Safety Statements
- 24 · 24/25
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
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
- 29335990
- safety_code
- 24/25
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers8 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
Related reactions
5 records
Compound notes
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