In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 11 | No |
Popular Name: 5-Nitrouracil 5-Nitrouracil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 611-08-5 , 8/5/611 , [611-08-5]
2,4(1H,3H)-PYRIMIDINEDIONE-5-NITRO
2,4-Dihydroxy-5-nitro pyrimidine
2,4-Dihydroxy-5-nitropyrimidine
5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione
5-nitro-2,4(1H,3H)-pyrimidinedione
5-Nitro-2,4-dihydroxypyrimidine
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) | -0.33 | -1.55 | -30.35 | 1 | 7 | -1 | 115 | 156.077 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.79 | 0.37 | -18.3 | 2 | 7 | 0 | 112 | 157.085 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95+% | Matrix Scientific |
Purity | 97% | Fluorochem |
Mp [°C] | >300 | Acros Organics |
MP | >300° | Oakwood Chemical |
Melting_Point | ca 300? | Alfa-Aesar |
Melting_Point | ca 300° | Alfa-Aesar |
H phrase | H335: May cause respiratory irritation | Acros Organics |
H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
Warnings | IRRITANT | Matrix Scientific |
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 |
Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.