In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2005 | 13 | Yes |
Popular Name: QUINOXALINE-6-CARBOXYLIC ACID QUINOXALINE-6-CARBOXYLIC ACID
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108035-45-6 , 33139-05-8 , 6925-00-4 , [33139-05-8] , [6925-00-4]
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) | 1.62 | 2.54 | -51.64 | 0 | 4 | -1 | 66 | 173.151 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 233 - 235 | Enamine Building Blocks |
MP | 233...235 | Enamine Building Blocks |
melting_point | 246 - 248 | KeyOrganics |
Melting_Point | 248-251? | Alfa-Aesar |
Melting_Point | 248-251° | Alfa-Aesar |
Mp [°C] | 250 | Acros Organics |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Fluorochem |
H phrase | H315: Causes skin irritation | Acros Organics |
H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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.