Basic information
- CAS
5118-80-9- Standard SMILES
Nc1nc(N)nc(-c2cccc(-c3nc(N)nc(N)n3)c2)n1- InChIKey
SVOFLTDQIZSKLN-UHFFFAOYSA-N- Molecular formula
- C12H12N10
- Average molar mass
- 296.29 g/mol
- Monoisotopic mass
- 296.12464043
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 6,6'-(1,3-phenylene)bis-
- IUPAC
- 6-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine-2,4-diamine
- English name
- 6,6'-(m-phenylene)bis(1,3,5-triazine-2,4-diamine)
- Molecular formula
- C12H12N10
- Molecular weight
- 296.29068
Names & synonyms
5118-80-91,3,5-Triazine-2,4-diamine, 6,6'-(1,3-phenylene)bis-DTXSID3063708EINECS 225-859-0RefChem:412602DTXCID40409796,6'-(1,3-phenylene)bis(1,3,5-triazine-2,4-diamine)6-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine-2,4-diamine6,6'-(1,3-Phenylene)bis[1,3,5-triazine-2,4-diamine]6,6'-(1,3-Phenylene)di(1,3,5-triazine-2,4-diamine)CBDivE_009142SCHEMBL4801904
Show more names
6,6′-(1,3-Phenylen)bis-2,4-diamino-1,3,5-triazin
SVOFLTDQIZSKLN-UHFFFAOYSA-NSTK749420AKOS000735026NS00045393ST50220533AK-918/106560596,6'-(m-Phenylene)bis(1,3,5-triazine-2,4-diamine)6,6'-benzene-1,3-diylbis(1,3,5-triazine-2,4-diamine)
Database identifiers
- CAS
5118-80-9- PubChem CID
- 78799
- DTXSID
DTXSID3063708- EC Number
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 843.6 · 843.6±75.0 °C(Predicted)
- Density
- 1.572 · 1.572±0.06 g/cm3(Predicted)
- pka
- 4.44 · 4.44±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3,5-Triazine-2,4-diamine, 6,6'-(1,3-phenylene)bis- (5118-80-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Triazine-2,4-diamine, 6,6'-(1,3-phenylene)bis-: ACTIVE
Suppliers2 total
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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