| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: Salicylamide Salicylamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 287492-04-0 , 65-45-2
2,4-Cyclohexadien-1-one, 6-(aminohydroxymethylene)- (9CI)
2-hydroxybenzamide; 65-45-2; salicylamide
65-45-2; D01811; Salicylamide (JAN/USP/INN); Salicylamide (TN)
salicilamida; salicylamide; salicylamidum
| 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) | 1.25 | -0.14 | -10.61 | 3 | 3 | 0 | 63 | 137.138 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 0.86 | -54.04 | 2 | 3 | -1 | 66 | 136.13 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.89 | -2.63 | -31.84 | 4 | 3 | 1 | 66 | 138.146 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.107 | Bitter DB |
| Melting_Point | 138-142? | Alfa-Aesar |
| Melting_Point | 138-142° | Alfa-Aesar |
| MP | 139 - 141 | Enamine Building Blocks |
| Mp [°C] | 139 - 142 | Acros Organics |
| MP | 139...141 | Enamine Building Blocks |
| MP | 140 | TCI |
| MP | 140 - 144 | Enamine Building Blocks |
| MP | 140-144° | Oakwood Chemical |
| Boiling_Point | 181?/14mm | Alfa-Aesar |
| Boiling_Point | 181°/14mm | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 7.82e+00 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Therapy | analgesic | SMDC Iconix |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| UniProt Database Links | HOT_HUMAN | ChEBI |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; 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 | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.