Basic information
- CAS
34940-35-7- Standard SMILES
Cc1cc(=O)n2c([nH]c3ccccc32)c1C#N- InChIKey
ODPPIAGQLCIUJF-UHFFFAOYSA-N- Molecular formula
- C13H9N3O
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.07456192
Names & identifiers
- Preferred name
- 1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile
- IUPAC
- 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
- English name
- 3-METHYL-1-OXO-1,5-DIHYDRO-BENZO[4,5]IMIDAZO[1,2-A]PYRIDINE-4-CARBONITRILE
- Molecular formula
- C13H9N3O
- Molecular weight
- 223.23
Names & synonyms
60792-57-61,5-Dihydro-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrileRefChem:2212873-Methyl-1-oxo-1,5-dihydro-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile34940-35-73-Methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile3-methyl-1-oxo-1,5-dihydrobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile1-hydroxy-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrileF1092-0035
Show more names
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1,5-dihydro-3-methyl-1-oxo-11-methyl-13-oxo-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaene-10-carbonitrile
3-Methyl-1-oxo-1H,5H-pyrido[1,2-a]benzimidazole-4-carbonitrile13-hydroxy-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrileMFCD00649384MFCD00479155starbld0001992Oprea1_461520Oprea1_468842Oprea1_570523
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- form
- solid
- InChI
- 1S/C13H9N3O/c1-8-6-12(17)16-11-5-3-2-4-10(11)15-13(16)9(8)7-14/h2-6,15H,1H3
- InChIKey
- ODPPIAGQLCIUJF-UHFFFAOYSA-N
- SMILES
- N#CC(C(C)=C1)=C(NC2=C3C=CC=C2)N3C1=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (100%)
Eye Irrit. 2A (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers1 total
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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