(2,4,6-Triamino-5-pyrimidinylazo)benzene-4-sulfonic acid
Basic information
- CAS
2877-65-8- Standard SMILES
Nc1nc(N)c(N=Nc2ccc(S(=O)(=O)O)cc2)c(N)n1- InChIKey
XTTCCPVIYILKCY-UHFFFAOYSA-N- Molecular formula
- C10H11N7O3S
- Average molar mass
- 309.31 g/mol
- Monoisotopic mass
- 309.06440841
Names & identifiers
- Preferred name
- (2,4,6-Triamino-5-pyrimidinylazo)benzene-4-sulfonic acid
- IUPAC
- 4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzenesulfonic acid
Names & synonyms
2877-65-8BRN 0333812P-64(2,4,6-Triamino-5-pyrimidinylazo)benzene-4-sulfonic acidT 341LBenzenesulfonic acid, 4-((2,4,6-triamino-5-pyrimidinyl)azo)-Py 64SCHEMBL11121897SCHEMBL11121903XTTCCPVIYILKCY-UHFFFAOYSA-NNSC520866NSC 520866
Show more names
NSC-520866T 341-LDS-010314BENZENESULFONIC ACID,4-[2-(2,4,6-TRIAMINO-5-PYRIMIDINYL)DIAZENYL]-
Database identifiers
- CAS
2877-65-8- PubChem CID
- 101442
- EC Number
- 437-050-1
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: P-64 (EC: 437-050-1)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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