| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 17th, 2014 | 0 | Yes |
Popular Name: 1-Methyl-3-phenylpiperazine 1-Methyl-3-phenylpiperazine
Find On: PubMed — Wikipedia — Google
CAS Number: 5271-27-2
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 45 - 47 | Enamine Building Blocks |
| MP | 45...47 | Enamine Building Blocks |
| Mp [°C] | 55 - 59 | Acros Organics |
| Melting_Point | 56-60? | Alfa-Aesar |
| Melting_Point | 56-60° | Alfa-Aesar |
| MP | 60° | Fluorochem |
| BP [°C] | 85 (p=0.5 torr) | Acros Organics |
| Boiling_Point | 85?/0.5mm | Alfa-Aesar |
| Boiling_Point | 85°/0.5mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H412: Harmful to aquatic life with long lasting effects; H302: Harmful if swallowed; H312: Harmful in contact with skin; H318: Causes serious eye damage | Acros Organics |
| 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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R38: Irritating to skin.; R41: Risk of serious damage to eyes.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | 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 |
No pre-computed analogs available. Try a structural similarity search.