| Weight | 220.272 g/mol |
|---|---|
| Formula | C12H16N2O2 |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 2 |
4-(4-methylpiperazin-1-yl)benzoic acid (86620-62-4)
86620-62-4
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- A practical synthesis of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acidthe key precursor toward imatinib (Tetrahedron Letters, 2012)
- Synthesis of 4-[(4-Methylpiperazin-1-yl)methyl]Benzoic Acid Dihydrochloride (Fine chemicals, 2010)
- Dual Chlorine-Bifurcated Acceptor Cl center dot center dot center dot H-(N,O) Hydrogen Bonds in 4-(4-Methylpiperazin-1-yl) Methyl]benzoic Acid Dihydrochloride Hemihydrate (2009)
- Dual Chlorine-Bifurcated Acceptor ClH(N,O) Hydrogen Bonds in 4-[(4-Methylpiperazin-1-yl) Methyl]benzoic Acid Dihydrochloride Hemihydrate (Journal of Chemical Crystallography, 2009)
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 86620-62-4
-
SMILESCN1CCN(CC1)C2=CC=C(C=C2)C(=O)O
-
InChIKeyUCFZVQHKTRSZMM-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 327.94 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 362.6 C | EPI Suite |
| Density | 1.16 g/cm3 | EPA T.E.S.T. |
| Flash Point | 181.32 C | EPA T.E.S.T. |
| Melting Point | 139.91 C | EPI Suite |
| Water Solubility | 1870.38 mg/L | EPA T.E.S.T. |
| Water Solubility | 18577 mg/L | EPI Suite |
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