N-(4-Aminophenyl)-N-methyl-2-(4-methyl-1-piperazinyl)acetamide - CAS 262368-30-9
Catalog: |
BB019209 |
Product Name: |
N-(4-Aminophenyl)-N-methyl-2-(4-methyl-1-piperazinyl)acetamide |
CAS: |
262368-30-9 |
Synonyms: |
N-(4-Aminophenyl)-N,4-dimethyl-1-piperazineacetamide; N-[[(4-Methylpiperazin-1-yl)methyl]carbonyl]-N-methyl-p-phenylenediamine; 1-Piperazineacetamide, N-(4-aminophenyl)-N,4-dimethyl- |
IUPAC Name: | N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide |
Description: | An impurity of Nintedanib. Nintedanib is a receptor tyrosine kinase (RTK) inhibitor that binds to vascular endothelial growth factor receptor, fibroblast growth factor receptor, and platelet-derived growth factor receptor. Nintedanib is used as a medication for the treatment of idiopathic pulmonary fibrosis. |
Molecular Weight: | 262.35 |
Molecular Formula: | C14H22N4O |
Canonical SMILES: | CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C14H22N4O/c1-16-7-9-18(10-8-16)11-14(19)17(2)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3 |
InChI Key: | LBWNQLVDYPNHAV-UHFFFAOYSA-N |
Boiling Point: | 434.8±40.0°C at 760 mmHg |
Melting Point: | 152-154°C |
Purity: | ≥95% |
Density: | 1.151±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-white to Pale Beige Solid |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD12457658 |
LogP: | 0.93600 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354599-A | Preparation method of nintedanib key intermediate | 20210809 |
CN-111848490-A | Preparation method of high-purity ethanesulfonic acid nintedanib | 20200824 |
CN-111848490-B | Preparation method of high-purity ethanesulfonic acid nintedanib | 20200824 |
CN-111848486-A | Method for preparing ethanesulfonic acid nintedanib | 20200716 |
WO-2021102161-A1 | Methods for treating inflammatory bowel disease | 20191120 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.17936134 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.17936134 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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