| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 11 | Yes |
Popular Name: 2-Naphthol 2-Naphthol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1125-78-6 , 135-19-3 , 68424-71-5 , [135-19-3]
135-19-3; 2-Naphthol; C11713; beta-Naphthol
2-Naphthol; 2-naphthalenol; beta-Naphthol; beta-hydroxynaphthalene; beta-naphthol
2-naphthol; CPD-8131; betanaphthol
| 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) | 2.64 | 3.92 | -5 | 1 | 1 | 0 | 20 | 144.173 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 120 - 124 | Acros Organics |
| Melting_Point | 120-124? | Alfa-Aesar |
| Melting_Point | 120-124° | Alfa-Aesar |
| MP | 121 | TCI |
| MP | 121 - 123 | Enamine Building Blocks |
| MP | 121...123 | Enamine Building Blocks |
| BP [°C] | 285 - 286 | Acros Organics |
| Boiling_Point | 285-286? | Alfa-Aesar |
| Boiling_Point | 285-286° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 99% | APIChem |
| Therapy | anthelmintic, antiseptic | SMDC Pharmakon |
| UniProt Database Links | APO1_AGRAE; APO1_COPRA; PMAT1_ARATH; PMAT2_ARATH; ST1C1_MOUSE; ST1S1_DANRE; ST2S2_DANRE; UGAT_BELPE | ChEBI |
| Patent Database Links | EP0790238; EP0980869; EP1283205; EP1380558; EP1634572; EP1650200; US2004044061; US2004147570; US2005005370; US2005181950; US2006105410; US2006105412; US2008115297; WO2005058840; WO2005090327; WO2005103015; WO2006022825; WO2006071353; WO2006071354; WO20061 | ChEBI |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H302: Harmful if swallowed; H400: Very toxic to aquatic life | Acros Organics |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P273: Avoid release to the environment | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed.; R50: Very toxic to aquatic organisms. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.