| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2011 | 38 | No |
Popular Name: patent blue V patent blue V
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20262-76-4 , [20262-76-4]
| 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) | -3.52 | 6.87 | -109.51 | 2 | 9 | 0 | 142 | 560.694 | 9 | ↓ |
| Hi High (pH 8-9.5) | -3.52 | 7.61 | -162.67 | 0 | 9 | -2 | 144 | 558.678 | 9 | ↓ |
| Mid Mid (pH 6-8) | -3.52 | 6.64 | -81.73 | 1 | 9 | -1 | 141 | 559.686 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | >200 | Acros Organics |
| 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 |
| 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.