Basic information
- CAS
611197-77-4- Standard SMILES
CC(C)c1cc(NC2CCCCC2)n2c(nc3ccccc32)c1C#N- InChIKey
ULVPFHBRNOJSBA-UHFFFAOYSA-N- Molecular formula
- C21H24N4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.20009678
Names & identifiers
- Preferred name
- 1-(Cyclohexylamino)-3-isopropylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(cyclohexylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 1-(cyclohexylamino)-3-isopropylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
- Molecular formula
- C21H24N4
- Molecular weight
- 332.44
Names & synonyms
611197-77-41-(cyclohexylamino)-3-(propan-2-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile1-(cyclohexylamino)-3-isopropylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrileChemDiv3_004452Oprea1_022951HMS1485K08STK1008611-(cyclohexylamino)-3-isopropylpyrido[1,2-a]benzimidazole-4-carbonitrileAKOS001348218IDI1_022362UPCMLD0ENAT5750300:001EU-0047482
Show more names
1-(CYCLOHEXYLAMINO)-3-ISOPROPYLPYRIDO(1,2-A)BENZIMIDAZOLE-4-CARBONITRILEPyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(cyclohexylamino)-3-(1-methylethyl)-
ST50053352BRD-K20944444-001-01-2Z57454676F1405-03864-(cyclohexylamino)-2-(methylethyl)-5-hydropyridino[1,2-a]benzimidazolecarboni trile
Database identifiers
- CAS
611197-77-4- PubChem CID
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 5.54 · 5.54±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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers5 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]
VITAS-BB—
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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