| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 9 | Yes |
Popular Name: 2-(Aminomethyl)phenol 2-(Aminomethyl)phenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 354563-89-6 , 61626-91-3 , 932-30-9 , [932-30-9]
| 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) | 1.06 | -0.27 | -40.95 | 4 | 2 | 1 | 48 | 124.163 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 125-126° | Oakwood Chemical |
| MP | 126 - 128 | Enamine Building Blocks |
| MP | 126-129° | Matrix Scientific |
| MP | 126...128 | Enamine Building Blocks |
| Mp [°C] | 127 - 131 | Acros Organics |
| MP | 148 - 150 | Enamine Building Blocks |
| MP | 148...150 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin 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; 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 |
No pre-computed analogs available. Try a structural similarity search.