| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 10 | Yes |
Popular Name: 1H-indazol-3-amine 1H-indazol-3-amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 102767-31-7 , 5/5/874 , 55440-17-0 , 866187-25-9 , 874-05-5 , N/A , [866187-25-9] , [874-05-5]
1,2-dihydro-3H-indazol-3-imine; 874-05-5; nsc44677
1H-Indazol-3-amine hydrochloride
| 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) | 1.23 | 2.22 | -27.45 | 4 | 3 | 1 | 56 | 134.162 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 2.24 | -10.99 | 2 | 3 | 0 | 51 | 133.154 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 2.24 | -10.98 | 2 | 3 | 0 | 51 | 133.154 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 2.09 | -8.96 | 3 | 3 | 0 | 55 | 133.154 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 2.14 | -6.48 | 3 | 3 | 0 | 55 | 133.154 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 150-152? | Alfa-Aesar |
| MP | 150-152° | Oakwood Chemical |
| MP | 152 - 154 | Enamine Building Blocks |
| MP | 152...154 | Enamine Building Blocks |
| MP | 153 - 155 | Enamine Building Blocks |
| melting_point | 156 - 157 | KeyOrganics |
| Mp [°C] | 156 - 158 | Acros Organics |
| MP | 156-157° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0359418A1; EP0434714A1; EP0609905A1; US5164510; US5182403; US5225565 | 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash wi | 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 |
| PUBCHEM_PATENT_ID | WO2000069834A1 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.
