| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: 1H-indazol-4-amine 1H-indazol-4-amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 41748-71-4 , [41748-71-4]
| 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) | 1.06 | 1.02 | -6.12 | 3 | 3 | 0 | 55 | 133.154 | 0 | ↓ |
| Ref Reference (pH 7) | 1.06 | 1.11 | -10.08 | 3 | 3 | 0 | 55 | 133.154 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 142-143° | Oakwood Chemical |
| MP | 145 - 147 | Enamine Building Blocks |
| MP | 145...147 | Enamine Building Blocks |
| Mp [°C] | 147.5 - 150 | Acros Organics |
| melting_point | 148 - 150 | KeyOrganics |
| MP | 148-150° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0042592A1; EP0042593A1; EP0847749B1; US3939084; US4036976; US4190661; US4438128; US4608383; US5580870; US6027538; US6077320 | IBM Patent Data |
| 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 |
| 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; 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 | 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 | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.