| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 13 | Yes |
Popular Name: 3-methyl-1-phenyl-1h-pyrazol-5-amine 3-methyl-1-phenyl-1h-pyrazol-5-a…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1131-18-6 , 1131-18-9 , 1258640-58-2 , 20737-88-6 , [1131-18-6]
"5-Amino-3-methyl-1-phenylpyrazole, 98%"
1H-pyrazol-5-amine, 3-methyl-1-phenyl-
3-methyl-1-phenyl-1H-pyrazol-5-amine dihydrochloride
3-methyl-1-phenyl-1H-pyrazol-5-amine hydrochloride
3-Methyl-1-phenyl-1H-pyrazol-5-ylamine
5-Amino-3-methyl-1-phenyl-1H-pyrazole
5-Amino-3-methyl-1-phenylpyrazole
5-Amino-3-methyl-1-phenylpyrazole, 97%
| 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) | 1.49 | 5.19 | -8.18 | 2 | 3 | 0 | 44 | 173.219 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 5.9 | -8.95 | 1 | 3 | 0 | 39 | 173.219 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 5.7 | -8.29 | 1 | 3 | 0 | 39 | 173.219 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 5.25 | -24.29 | 3 | 3 | 1 | 45 | 174.227 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 114-117? | Alfa-Aesar |
| MP | 115 | TCI |
| MP | 116° | Matrix Scientific |
| MP | 197 - 199 | Enamine Building Blocks |
| MP | 197...199 | Enamine Building Blocks |
| BP | 333 | TCI |
| BP | 333° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0013879A1; EP0120255A1; EP0297397A2; EP0297397B1; US3966703; US4051118; US4118384; US4354968; US4540776; US4556707; US4942225 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0370198A1; EP0417555A1; EP0417555B1; US5118814; US5138070 | IBM Patent Data |
| 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; 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.; R36/37/38: Irritating to eyes, respiratory system and skin. | 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 |
