| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 3-phenylisoxazol-5-amine 3-phenylisoxazol-5-amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4369-55-5 , 90417-07-5 , [4369-55-5]
"5-Amino-3-phenylisoxazole, 97%"
2-Isoxazoline, 5-imino-3-phenyl- (7CI)
5-Amino-3-phenylisoxazole, 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) | 1.70 | 2.07 | -8.59 | 2 | 3 | 0 | 52 | 160.176 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 2.02 | -26.85 | 3 | 3 | 1 | 53 | 161.184 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 105.9 - 109.8 | Acros Organics |
| Melting_Point | 108-110? | Alfa-Aesar |
| Melting_Point | 108-110° | Alfa-Aesar |
| melting_point | 109 - 111 | KeyOrganics |
| MP | 112 - 114 | Enamine Building Blocks |
| MP | 112...114 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| 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 | 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 | XN: Harmful | Acros Organics |
