Basic information
- CAS
174514-06-8- Standard SMILES
CN(C)c1nc(Nc2ccc(Nc3ccc(N=Nc4n(C)cc[n+]4C)cc3)cc2)nc(Nc2ccc(Nc3ccc(N=Nc4n(C)cc[n+]4C)cc3)cc2)n1.[Cl-]- InChIKey
YOZAQPLUNBLIKA-UHFFFAOYSA-O- Molecular formula
- C39H42ClN16+
- Average molar mass
- 770.3 g/mol
- Monoisotopic mass
- 769.3466881
Names & identifiers
- Preferred name
- 2,6-bis-(2-(4-(4-amino-phenylamino)-phenylazo)-1,3-dimethyl-3H-imidazolium)-4-dimethylamino-1,3,5-triazine, dichloride
- IUPAC
- 4-N,6-N-bis[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]phenyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine chloride
Names & synonyms
1H-Imidazolium, 2,2'-((6-(dimethylamino)-1,3,5-triazine-2,4-diyl)bis(imino-4,1-phenyleneimino-4,1-phenylene-2,1-diazenediyl))bis(1,3-dimethyl-, chloride (1:2)1H-Imidazolium, 2,2'-((6-(dimethylamino)-1,3,5-triazine-2,4-diyl)bis(imino-4,1-phenyleneimino-4,1-phenyleneazo))bis(1,3-dimethyl-, dichlorideEC 424-120-12,6-bis-(2-(4-(4-amino-phenylamino)-phenylazo)-1,3-dimethyl-3H-imidazolium)-4-dimethylamino-1,3,5-triazine, dichloride
Database identifiers
- CAS
174514-06-8- PubChem CID
- 44147705
- EC Number
- 424-120-1
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 56
- Formal charge
- 1
- Complexity
- 1,080
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
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationREACH registered substance: 2,6-bis-(2-(4-(4-amino-phenylamino)-phenylazo)-1,3-dimethyl-3H-imidazolium)-4-dimethylamino-1,3,5-triazine, dichloride (EC: 424-120-1)
Hazard Classes and Categories
Eye damage - category 1
Eye Dam. 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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