UCSF

ZINC18044615

Draw Identity 99% 90% 80% 70%

Substance Information

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]

Other Names:

"Cyanuric acid, 98%"

1,3,5-Triazin-2,4,6-triol;1,3,5-Triazine-2,4, 6(1H,3H,5H)-trione;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione;1,3,5-Triazine-2,4,6-triol;1,3,5-Triazine-2,4,6-triol (ACD/Name 4.0);2,4,6-Triazinetrione;2,4,6-Trihydroxy-1,3,5-triazine;2,4,6-Trihydroxy-S-triazine;2,

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, monosodium salt; Acovenoside B; CCRIS 5749; HSDB 4201; LS-155584; Monosodium cyanurate; NCI-C56542; Sodium cyanurate; Sodium isocyanurate; s-Triazine-2,4,6(1H,3H,5H)-trione, monosodium salt

1,3,5-triazine-2,4,6(1H,3H,5H)-trione; 1,3,5-triazine-2,4,6-triol; 108-80-5; 2,4,6-trihydroxy-1,3,5-triazine; CYANURIC-ACID; cyanurate; cyanuric acid; isocyanuric acid; pseudocyanuric acid; sym-triazine-2,4,6-triol; sym-triazinetriol; triazine-2,4,6(1H,3H

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione; 2,4,6-Trihydroxy-1,3,5-triazine; AI3-26483; CCRIS 5895; CP 4789; Caswell No. 862; Cyanuric acid; Cyanuric acid (VAN); EINECS 203-618-0; EPA Pesticide Chemical Code 081402; HSDB 2818; Isocyanurate acid; Isocyanuric ac

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione; 2,4,6-Trihydroxy-1,3,5-triazine; CYANURIC ACID; Cyanuric acid (VAN); Isocyanurate acid; Isocyanuric acid; Kyselina kyanurova [Czech]; Pseudocyanuric acid; Tricyanic acid; Trihydroxycyanidine; Trihydroxytriazine; bmse

1,3,5-triazine-2,4,6(1H,3H,5H)-trione; Isocyanursaeure; Isozyanursaeure; isocyanuric acid; s-triazine-2,4,6-trione

108-80-5; C06554; Cyanuric acid

2,4,6(1H,3H,5H)-Pyrimidinetrione

2,4,6-Trihydroxy-1,3,5-triazine

2,4,6-Trihydroxy-s-triazine

Barbituric acid

Barbituric acid, 99%+

CHEBI:14042; CHEBI:3983

CHEBI:23439

cyanurate

Cyanuric acid

Cyanuric acid lead(II) salt monohydrate

Cyanuric acid, 98%

Cyanuric acid, 99%

Cyanuric acid:; 2,4,6-Trihydroxy-1,3,5-triazine

Cyanuricacid

Hydrazine cyanurate

isocyanuric acid

Lead(II) cyanurate monohydrate

LS-190066

LS-192862

MFCD00006050

MFCD00043299

MFCD00064816

MFCD00082990

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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 ↓

Vendor Notes

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

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.