| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 8 | Yes |
Popular Name: trans-2,5-Dimethylpiperazine trans-2,5-Dimethylpiperazine
(2S,5R)-2,5-DIMETHYL-PIPERAZINE
(2S,5R)-2,5-Dimethylpiperazine
| 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) | 0.40 | -1.05 | -23.72 | 2 | 2 | 0 | 31 | 114.192 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | -1.13 | -1.54 | 2 | 2 | 0 | 24 | 114.192 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 0.05 | -35.72 | 3 | 2 | 1 | 29 | 115.2 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 0.06 | -34.3 | 3 | 2 | 1 | 29 | 115.2 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 113 - 118 | Acros Organics |
| Melting_Point | 115-119? | Alfa-Aesar |
| Melting_Point | 115-119° | Alfa-Aesar |
| MP | 116 | TCI |
| BP [°C] | 162 - 165 | Acros Organics |
| Boiling_Point | 162-165? | Alfa-Aesar |
| Boiling_Point | 162-165° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H312: Harmful in contact with skin; H228: Flammable solid | 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R21: Harmful in contact with skin.; R34: Causes burns. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; 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.; S45: In case of accid | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.