| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 13 | Yes |
Popular Name: Quinoline-3-carboxylic acid Quinoline-3-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 114527-53-6 , 6480-68-8 , 85870-47-9 , [6480-68-8]
1,2,3,4-Tetrahydroquinoline-3-carboxylicacid
3-Quinolinecarboxylic acid, 98%
6-Bromopyridine-2-boronic acid pinacol ester; >
| 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) | 1.50 | 4.5 | -49.47 | 0 | 3 | -1 | 53 | 172.163 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 262 - 264 | Enamine Building Blocks |
| MP | 262...264 | Enamine Building Blocks |
| MP | 269 - 271 | Enamine Building Blocks |
| Mp [°C] | 277 - 283 | Acros Organics |
| MP | 277-280° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 283? dec. | Alfa-Aesar |
| Melting_Point | ca 283° dec. | 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 |
