Basic information
- CAS
63557-10-8- Standard SMILES
O=C(O)c1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)nc(Nc3ccc(C(=O)O)cc3)n2)cc1- InChIKey
NGJJZCPADSICRI-UHFFFAOYSA-N- Molecular formula
- C24H18N6O6
- Average molar mass
- 486.4 g/mol
- Monoisotopic mass
- 486.12878232
Names & identifiers
- Preferred name
- 4,4',4''-(1,3,5-Triazine-2,4,6-triyltriimino)tris(benzoic acid)
- IUPAC
- 4-[[4,6-bis(4-carboxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
- English name
- 4,4',4''-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acid
- Molecular formula
- C24H18N6O6
- Molecular weight
- 486.44
Names & synonyms
63557-10-8NF3PV7RS6L4,4',4''-(1,3,5-Triazine-2,4,6-triyltriimino)tris(benzoic acid)4,4',4''-(1,3,5-Triazine-2,4,6-triyltriimino)tris[benzoic acid]RefChem:10692194,4',4''-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoic acidMFCD012322644-[[4,6-bis(4-carboxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid2,4,6-Tris[(p-carboxyphenyl)amino]-1,3,5-triazine4,4',4''-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoicacidorb3214441SCHEMBL1023029
Show more names
H3TATABDK7634DK7257SKL106Benzoic acid, 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
SCHEMBL7534587SB73680BS-49981SY327001CS-0110055D82792F5471744,4',4''-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))triben
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 650
Physicochemical properties
- Melting point
- 330 ℃ · >330℃ (decomposition) (isopropanol )
- Boiling point
- 830.5 · 830.5±75.0 °C(Predicted)
- Density
- 1.595 · 1.595±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.97 · 3.97±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers72 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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