| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 10 | Yes |
Popular Name: 3-AMINO-5-TERT-BUTYLPYRAZOLE 3-AMINO-5-TERT-BUTYLPYRAZOLE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 82560-12-1 , [82560-12-1]
3-(Tert-Butyl)-1H-pyrazol-5-amine
3-Amino-5-tert-butyl-1H-pyrazole
3-Amino-5-tert-butyl-1H-pyrazole, 98%
3-tert-Butyl-1H-pyrazol-5-amine
5-Amino-3-(tert-butyl)-1H-pyrazole
5-Amino-3-(tert-butyl)-1H-pyrazole 98%
5-tert-Butyl-1H-pyrazol-3-amine
5-tert-butyl-1H-pyrazol-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) | 1.39 | 2.86 | -31.34 | 3 | 3 | 1 | 52 | 140.21 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 2.4 | -25.55 | 4 | 3 | 1 | 56 | 140.21 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 2.27 | -5.09 | 3 | 3 | 0 | 55 | 139.202 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 2.25 | -5.44 | 3 | 3 | 0 | 55 | 139.202 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 60 - 62 | Acros Organics |
| MP | 72-75° | Oakwood Chemical |
| MP | 73 - 75 | Enamine Building Blocks |
| Melting_Point | 75-79? | Alfa-Aesar |
| Melting_Point | 75-79° | Alfa-Aesar |
| MP | 77-83° | Oakwood Chemical |
| MP | 78 | TCI |
| MP | 78 - 80 | Enamine Building Blocks |
| MP | 78...80 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0378791A2; EP0571959A2; EP0571959B1; EP0620491A1; EP0620491B1; EP0688774A1; EP0688774B1; EP0903633A1; US4501606; US4505739; US5451501; US5532377; US5585231; US5723623; US6127088 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | 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 | XI: Irritant | Acros Organics |
