In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2008 | 9 | Yes |
Popular Name: 1,3,5-triazine-2,4,6-triol 1,3,5-triazine-2,4,6-triol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108-80-5 , 18836-29-8 , 53846-29-0 , 67-52-7 , [108-80-5] , [67-52-7]
108-80-5; C06554; Cyanuric acid
2,4,6(1H,3H,5H)-Pyrimidinetrione
2,4,6-Trihydroxy-1,3,5-triazine
Cyanuric acid lead(II) salt monohydrate
Cyanuric acid:; 2,4,6-Trihydroxy-1,3,5-triazine
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -1.76 | -3.63 | -7.2 | 3 | 6 | 0 | 99 | 129.075 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 358 - 360 | Enamine Building Blocks |
MP | 358...360 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Mp [°C] | >360 | Acros Organics |
Melting_Point | >360? | Alfa-Aesar |
Melting_Point | >360° | Alfa-Aesar |
Patent Database Links | EP0822189; EP0960896; EP0984011; EP1061080; EP1375498; US2007203256 | ChEBI |
Patent Database Links | EP0952155; EP0984011; EP1852177; US2007189991; US2007203256; US2007264208; WO2006040289; WO2006095337; WO2007107981 | ChEBI |
H phrase | H319: Causes serious eye irritation | Acros Organics |
H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
UniProt Database Links | TRZD_ENTCL; TRZD_PSESP | ChEBI |
Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.