| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | Yes |
Popular Name: 6-(Aminomethyl)benzothiazole 6-(Aminomethyl)benzothiazole
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CAS Numbers: 1375964-49-0 , 499770-92-2
| 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) | 1.53 | 1.96 | -52.95 | 3 | 2 | 1 | 41 | 165.241 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 1.56 | -6.38 | 2 | 2 | 0 | 39 | 164.233 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 137 - 137.5 | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P35 | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.