| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 6 | Yes |
Popular Name: Piperazine Piperazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110-85-0 , 110-85-0, 144-29-6 [anhyd , 110-85-0, 144-29-6 [anhydrous], 41372-10-5 [piperazine citrate] , 142-63-2 , 142-64-3 , 14538-56-8 , 14538-56-8 ; 1951-97-9 , 18534-18-4 , 290-37-9 , 4554-26-1 , 6091-62-9 , 6094-40-2 , 7542-23-6 , 95-54-5 , [110-85-0] , [142-64-3] , [14538-56-8] , [18534-18-4] , [1951-97-9]
1,4-Diazacyclohexane, Diethylenediamine
110-85-0; C07973; Diethylenediamine; Piperazine
110-85-0; diethylenediamine; hexahydropyrazine; piperazidine; piperazine; pripsen
14007-05-7 (unspecified hydrobromide)
16832-43-2 (unspecified hydrate)
18534-18-4; D01393; Pincets (TN); Piperazine phosphate hydrate (JP16/USP)
1951-97-9 (unspecified phosphate)
3597-26-0 (unspecified sulfate)
5-23-01-00030 (Beilstein Handbook Reference)
6094-40-2 (unspecified hydrochloride)
7542-23-6 (mono-hydrochloride)
D09653; Piperazine dihydrochloride (USP); Piperazine dihydrochloride hydrate
InChI=1/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H
Piperazine Dihydrochloride Dihydrochloride Hydrate
Piperazine dihydrochloride monohydrate
Piperazine dihydrochloride monohydrate, 98%
Piperazine hydrogen phosphate monohydrate
Piperazine hydrogen phosphate monohydrate, 98+%
Piperazine [UN2579] [Corrosive]
Piperazine [UN2579] [Corrosive]
| 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) | -0.96 | -1.28 | -35.17 | 3 | 2 | 1 | 29 | 87.146 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.96 | 0.05 | -108.08 | 4 | 2 | 2 | 33 | 88.154 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 107 - 111 | Acros Organics |
| Melting_Point | 108-113? | Alfa-Aesar |
| Melting_Point | 108-113° | Alfa-Aesar |
| Boiling_Point | 125-130? | Alfa-Aesar |
| BP [°C] | 146 - 148 | Acros Organics |
| Boiling_Point | 146-148? | Alfa-Aesar |
| Boiling_Point | 146-148° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 3.71e+02 g/l | DrugBank-approved |
| MP | 33 - 36 | Enamine Building Blocks |
| MP | 33...36 | Enamine Building Blocks |
| Melting_Point | 42-46? | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| Therapy | anthelmintic | SMDC Pharmakon |
| Purity | BP1998; CP2000 | APIChem |
| Patent Database Links | EP0791849; EP0816351; EP0824917; EP0831096; EP0835866; EP0835869; EP0839810; EP0842934; EP0842935; EP0842936; EP0849260; EP0858996; EP0860438; EP0867435; EP0875513; EP0889044; EP0900792; EP0906758; EP0915094; EP0921122; EP0934924; EP0936216; EP0952152; EP | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; C: Corrosive; XN: Harmful | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H317: May cause an allergic skin reaction; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H361fd: Suspected of damaging fertility. Suspected of damaging the unborn child; H22 | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | LAAA_PSEAZ; LAAA_PSEFS; RSAM_PSESP | ChEBI |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | 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, if present and easy to do. Continue rinsing; P261: Avoid breathing dust/fume/gas | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R34: Causes burns.; R42/43: May cause sensitisation by inhalation and skin contact.; R62: Possible risk of impaired fertility.; R63: Possible risk of harm to the unborn child. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.