4-(4-Methyl-1-piperazinyl)-3-nitrobenzoic Acid - CAS 137726-00-2
Catalog: |
BB008636 |
Product Name: |
4-(4-Methyl-1-piperazinyl)-3-nitrobenzoic Acid |
CAS: |
137726-00-2 |
Synonyms: |
4-(4-methyl-1-piperazinyl)-3-nitrobenzoic acid; 4-(4-methylpiperazin-1-yl)-3-nitrobenzoic acid |
IUPAC Name: | 4-(4-methylpiperazin-1-yl)-3-nitrobenzoic acid |
Description: | 4-(4-Methyl-1-piperazinyl)-3-nitrobenzoic Acid (CAS# 137726-00-2 ) is a useful research chemical. |
Molecular Weight: | 265.27 |
Molecular Formula: | C12H15N3O4 |
Canonical SMILES: | CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C12H15N3O4/c1-13-4-6-14(7-5-13)10-3-2-9(12(16)17)8-11(10)15(18)19/h2-3,8H,4-7H2,1H3,(H,16,17) |
InChI Key: | OELXEJIGVMEIJK-UHFFFAOYSA-N |
MDL: | MFCD01568172 |
LogP: | 1.57090 |
Publication Number | Title | Priority Date |
EP-2928457-A1 | Cyclopropylamine derivatives useful as inhibitors of histone demethylases kdm1a | 20121205 |
US-2015315126-A1 | Cyclopropylamine derivatives useful as inhibitors of histone demethylases kdm1a | 20121205 |
WO-2014086790-A1 | Cyclopropylamine derivatives useful as inhibitors of histone demethylases kdm1a | 20121205 |
EP-2928457-B1 | Cyclopropylamine derivatives useful as inhibitors of histone demethylases kdm1a | 20121205 |
EP-1999131-B1 | Bicyclo-pyrazoles active as kinase inhibitors | 20060303 |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.10625597 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.10625597 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 89.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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