| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 15 | No |
Popular Name: N-Salicylideneaniline N-Salicylideneaniline
Find On: PubMed — Wikipedia — Google
CAS Number: 779-84-0
| 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) | 3.41 | 4.21 | -6.82 | 1 | 2 | 0 | 33 | 197.237 | 2 | ↓ |
| Ref Reference (pH 7) | 3.41 | 5.41 | -6.86 | 1 | 2 | 0 | 33 | 197.237 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 6.18 | -49.69 | 0 | 2 | -1 | 35 | 196.229 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 4.99 | -41.19 | 0 | 2 | -1 | 35 | 196.229 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 5.91 | -29.03 | 2 | 2 | 1 | 34 | 198.245 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 4.64 | -31.11 | 2 | 2 | 1 | 34 | 198.245 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 149 | MolMall (formerly Molecular Diversity Preservation International) |
| BP | 151 / 2 | TCI |
| Boiling_Point | 151?/2mm | Alfa-Aesar |
| Boiling_Point | 151°/2mm | Alfa-Aesar |
| Melting_Point | 48-52? | Alfa-Aesar |
| Melting_Point | 48-52° | Alfa-Aesar |
| Mp [°C] | 49.4 - 52.4 | Acros Organics |
| MP | 51 | TCI |
| 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
