Basic information
- CAS
294850-01-4- Standard SMILES
Cc1cc(NCc2ccccc2)n2c(nc3ccccc32)c1C#N- InChIKey
FWACMYKLAGVWIP-UHFFFAOYSA-N- Molecular formula
- C20H16N4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13749653
Names & identifiers
- Preferred name
- 1-(Benzylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- IUPAC
- 1-(benzylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 1-(benzylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
- Molecular formula
- C20H16N4
- Molecular weight
- 312.37
Names & synonyms
1-(benzylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrileOprea1_053540Oprea1_450609STK102479AKOS000428449ST50220880AG-205/325740511-(benzylamino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile2-methyl-4-[benzylamino]-5-hydropyridino[1,2-a]benzimidazolecarbonitrile294850-01-41-BENZYLAMINO-3-METHYL-BENZO(4,5)IMIDAZO(1,2-A)PYRIDINE-4-CARBONITRILEPyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-[(phenylmethyl)amino]-
Database identifiers
- CAS
294850-01-4- PubChem CID
- 680348
- EC Number
- 164-095-1
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 5 · 5+-.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
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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