Basic information
- CAS
146998-51-8- Standard SMILES
CNc1nc(C)nc(-c2ccccc2O)n1- InChIKey
JIMCXDPSVCYANB-UHFFFAOYSA-N- Molecular formula
- C11H12N4O
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.10111102
Names & identifiers
- Preferred name
- 2-[4-Methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
- IUPAC
- 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
- English name
- CHEMBRDG-BB 5562069
- Molecular formula
- C11H12N4O
- Molecular weight
- 216.24
Names & synonyms
146998-51-82-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol2-(4-Methyl-6-(methylamino)-1,3,5-triazin-2-yl)phenolMFCD01826585MLS000114345ChemDiv2_004465Cambridge id 5562069Oprea1_466959CHEMBL1532263DTXSID70425322HMS1381K21HMS2251J08
Show more names
CHEMBRDG-BB 5562069Phenol, 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol(SALTDATA: FREE)
STK860368AKOS003595774CCG-113777SB73498IDI1_003180BS-37382SMR000091749AB00089301-01
Database identifiers
- CAS
146998-51-8- PubChem CID
- 950458
- DTXSID
DTXSID70425322- ChEMBL
CHEMBL1532263
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 448.5 · 448.5±47.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 9.03 · 9.03±0.35(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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