| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 27th, 2005 | 6 | Yes |
Popular Name: 1H-Pyrazol-3-amine 1H-Pyrazol-3-amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1003-99-2 , 1820-80-0 , 197367-87-6 , 28466-26-4 , 34045-29-9 , 916420-28-5 , [1003-99-2] , [1820-80-0]
1,3-Dimethyl-1H-pyrazol-4-amine dihydrochloride
1H-Pyrazol-3-amine dihydrochloride
| 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) | -0.38 | 0.35 | -32.72 | 3 | 3 | 1 | 52 | 84.102 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.07 | -0.05 | -29.23 | 4 | 3 | 1 | 56 | 84.102 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.07 | -0.21 | -5.35 | 3 | 3 | 0 | 55 | 83.094 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.07 | -0.16 | -6.4 | 3 | 3 | 0 | 55 | 83.094 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 218 (p=122 torr) | Acros Organics |
| Boiling_Point | 218?/122mm | Alfa-Aesar |
| Boiling_Point | 218°/122mm | Alfa-Aesar |
| BP | 282 | TCI |
| Mp [°C] | 33 - 39 | Acros Organics |
| MP | 34-37° | Fluorochem |
| Melting_Point | 34-39? | Alfa-Aesar |
| Melting_Point | 34-39° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| Warnings | Corrosive/Stored under Argon/Air Sensitive/Refrigerate | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0728128A1; EP0728128B1; US5463124; US5519113 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0763529A1; EP0884051A1; US5744475; US6159969 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Refrigerate | 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 |
