Basic information
- CAS
294850-50-3- Standard SMILES
Cc1cc(N2CCOCC2)n2c(nc3ccccc32)c1C#N- InChIKey
MNTVCSGDKNIFEM-UHFFFAOYSA-N- Molecular formula
- C17H16N4O
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.13241115
Names & identifiers
- Preferred name
- 3-Methyl-1-(morpholin-4-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 3-methyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 3-methyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
- Molecular formula
- C17H16N4O
- Molecular weight
- 292.34
Names & synonyms
3-Methyl-1-(morpholin-4-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile2-methyl-4-morpholin-4-yl-5-hydropyridino[1,2-a]benzimidazolecarbonitrileNSC611529Oprea1_670604Oprea1_869999SCHEMBL2164013MNTVCSGDKNIFEM-UHFFFAOYSA-NCl-1697CCG-48670STK107662AKOS000447774NSC-611529
Show more names
3-methyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrilePyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-(4-morpholinyl)-3-METHYL-1-MORPHOLIN-4-YL-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILE
ST056108NS00096536AB00099208-01SR-01000433922SR-01000433922-1SR-01000433922-23-methyl-1-morpholinopyrido[1,2-a]benzimidazole-4-carbonitrile3-Methyl-1-(4-morpholinyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Database identifiers
- CAS
294850-50-3- PubChem CID
- 356290
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 7.06 · 7.06±0.50(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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