| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | No |
Popular Name: 3-Methyl-4-nitropyridine N-oxide 3-Methyl-4-nitropyridine N-oxide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1074-98-2 , [1074-98-2]
3-methyl-4-nitro-1-oxidopyridin-1-ium
3-Methyl-4-nitro-pyridine 1-oxide
3-Methyl-4-nitropyridine 1-oxide
3-Methyl-4-nitropyridine N-oxide 99%
3-Methyl-4-nitropyridine N-oxide, 98%
3-Methyl-4-nitropyridine-N-oxide
| 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) | -0.21 | 4.33 | -13.22 | 0 | 5 | 0 | 71 | 154.125 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 132-135° | Matrix Scientific |
| MP | 133-135° | Oakwood Chemical |
| Melting_Point | 134-138? | Alfa-Aesar |
| Melting_Point | 134-138° | Alfa-Aesar |
| Mp [°C] | 135 - 139 | Acros Organics |
| MP | 136 - 138 | Enamine Building Blocks |
| MP | 136...138 | Enamine Building Blocks |
| MP | 137 | TCI |
| MP | 137 - 138 | Enamine Building Blocks |
| MP | 138 - 138 | Enamine Building Blocks |
| MP | 138 - 140 | Enamine Building Blocks |
| mp | 58 - 61 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H302: Harmful if swallowed; H312: Harmful in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H341: Suspected of causing genetic defects | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P281: Use personal protective equipment as required; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/phy | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R68: Possible risks of irreversible effects. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Warnings | Toxic | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.