| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 10 | Yes |
Popular Name: Methyl 5-amino-4H-[1,2,4]triazole-3-carboxylate Methyl 5-amino-4H-[1,2,4]triazol…
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CAS Numbers: 142782-22-7 , 3641-14-3 , 63666-11-5 , N/A
5-Amino-1H-1,2,4-triazol-3-carbonsäure-methylester
5-Amino-1H-[1,2,4]-triazole-3-carboxylic acid meth
5-Amino-1H-[1,2,4]-triazole-3-carboxylic acid methyl ester
5-Amino-1H-[1,2,4]-triazole-3-carboxylic acid methyl ester, 96%
5-Amino-1H-[1,2,4]triazole-3-carboxylic acid methyl ester
Ethyl 5-amino-4H-1,2,4-triazole-3-carboxylate
Ethyl 5-amino-4H-[1,2,4]triazole-3-carboxylate
Methyl 5-amino-4H-[1,2,4]triazole-3-carboxylate
methyl 3-amino-1H-1,2,4-triazole-5-carboxylate
Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate
Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate hydrochloride
Methyl 5-amino-1H-1,2,4-triazole-3-carboxylatehydrochloride
Methyl 5-amino-4H-1,2,4-triazole-3-carboxylate hydrochloride
methyl-5-amino-1H-[1,2,4]TRIAZOLE-3-carboxylate
| 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) | -0.87 | 1.81 | -6.12 | 3 | 6 | 0 | 94 | 142.118 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 210 - 212 | Enamine Building Blocks |
| Mp [°C] | 212 - 213 | Acros Organics |
| MP | 218 - 222 | Enamine Building Blocks |
| MP | 218-222° | Oakwood Chemical |
| MP | 218...222 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| 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 | S22: Do not breathe dust. | 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 |
No pre-computed analogs available. Try a structural similarity search.