Basic information
- CAS
78650-05-2- Standard SMILES
NC1=NC(c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1- InChIKey
MKPGPLNWEGNLML-UHFFFAOYSA-N- Molecular formula
- C15H12N6O2
- Average molar mass
- 308.29 g/mol
- Monoisotopic mass
- 308.10217365
Names & identifiers
- Preferred name
- 4-(3-Nitrophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
- IUPAC
- 4-(3-nitrophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
- English name
- 4-(3-nitrophenyl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
- Molecular formula
- C15H12N6O2
- Molecular weight
- 308.29478
Names & synonyms
78650-05-2WAY-6058491,4-Dihydro-4-(3-nitrophenyl)-1,3,5-triazino[1,2-a]benzimidazol-2-amine4-(3-Nitrophenyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a][1,3,5]triazin-2-amine4-(3-nitrophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine4-(3-nitrophenyl)-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine4-(3-nitrophenyl)-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine13-(3-nitrophenyl)-1,8,10,12-tetraazatricyclo[7.4.0.0(2),?]trideca-2,4,6,8-tetraen-11-imineDTXSID001152719STK201919STK588604STL495626
Show more names
4-(3-nitrophenyl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine1,3,5-Triazino[1,2-a]benzimidazol-2-amine, 1,4-dihydro-4-(3-nitrophenyl)-4-(3-Nitro-phenyl)-3,4-dihydro-benzo[4,5]imidazo[1,2-a][1,3,5]triazin-2-ylamine
AKOS001014291AKOS002267536AKOS005511311AKOS016309045AKOS016873270AS-88032H58177SR-01000088448
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 507
Physicochemical properties
- Melting point
- 247 · 247-248 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 522.3 · 522.3±60.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- 6.78 · 6.78±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
Aladdin Scientific[email protected]
上海传芊化工科技中心15869524721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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