| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 17 | Yes |
Popular Name: 4-(4-Methylpiperazin-1-ylmethyl)benzoic acid 4-(4-Methylpiperazin-1-ylmethyl)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106261-48-7 , 106261-49-8 , [106261-48-7] , [106261-49-8]
4-((4-methylpiperazin-1-yl)methyl)benzoic acid
4-((4-methylpiperazin-1-yl)methyl)benzoic acid dihydrochloride
4-(4-Methyl piperazino methyl) benzoic acid 2HCl
4-(4-Methyl-1-piperazinylmethyl)benzoic Acid
4-(4-Methyl-1-piperazinylmethyl)benzoic acid, 97%
4-(4-Methyl-1-piperazinylmethyl)benzoicAcid
4-(4-METHYLPIPERAZINOMETHYL)BENZOIC ACID
4-[(4-Methyl-1-piperaziny)methyl]benzoic acid dihydrochloride hemihydrate
4-[(4-Methyl-1-piperazinyl)methyl]benzoic Acid Dihydrochloride
4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dih
4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid DiHCl
4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride 0.5 hydrate
Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-, hydrochloride (1:2)
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.54 | 5.37 | -74.68 | 1 | 4 | 0 | 48 | 234.299 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 2.39 | -98.8 | 9 | 9 | 2 | 152 | 442.474 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 5.3 | -75.61 | 1 | 4 | 0 | 48 | 234.299 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 2.9 | -50.52 | 0 | 4 | -1 | 47 | 233.291 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 305 - 307 | Acros Organics |
| MP | 305-307° | Oakwood Chemical |
| MP | 324 - 326 | Enamine Building Blocks |
| MP | 324...326 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
