| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2009 | 13 | Yes |
Popular Name: 1-methyl-3-phenylpiperazine 1-methyl-3-phenylpiperazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 19509-11-6 , 5271-27-2 , 931115-08-1
"1-Methyl-3-phenylpiperazine, 97%"
(3S)-1-methyl-3-phenylpiperazine
(S)-1-methyl-3-phenylpiperazine
1-Methyl-3-phenylpiperazine, 97%
| 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) | 1.57 | 6.07 | -115.05 | 3 | 2 | 2 | 21 | 178.279 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 2.54 | -2.16 | 1 | 2 | 0 | 15 | 176.263 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 3.67 | -35.87 | 2 | 2 | 1 | 20 | 177.271 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 4.92 | -33.55 | 2 | 2 | 1 | 16 | 177.271 | 1 | ↓ |
| 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 | TCI |
| MP | 60° | Oakwood Chemical |
| 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 |
| 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; 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 |
