N-Methyl-2-(4-methyl-1-piperazinyl)-N-(4-nitrophenyl)acetamide - CAS 1139453-98-7
Catalog:
BB003282
Product Name:
N-Methyl-2-(4-methyl-1-piperazinyl)-N-(4-nitrophenyl)acetamide
CAS:
1139453-98-7
Synonyms:
N-methyl-2-(4-methyl-1-piperazinyl)-N-(4-nitrophenyl)acetamide; N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
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BB003282
100 mg
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IUPAC Name: N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
Description: An impurity of Nintedanib, 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: 292.33
Molecular Formula: C14H20N4O3
Canonical SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C14H20N4O3/c1-15-7-9-17(10-8-15)11-14(19)16(2)12-3-5-13(6-4-12)18(20)21/h3-6H,7-11H2,1-2H3
InChI Key: LSQRHFSGOUDQDS-UHFFFAOYSA-N
MDL: MFCD18207135
LogP: 1.20400
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-109988094-B Preparation method of ethanesulfonic acid nintedanib 20190429
WO-2019048974-A1 PROCESS FOR PREPARING NINTEDANIB 20170906
US-2017174625-A1 Preparation method of nintedanib 20140909
US-9856215-B2 Preparation method of Nintedanib 20140909
Complexity: 369
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 292.15354051
Formal Charge: 0
Heavy Atom Count: 21
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 292.15354051
Rotatable Bond Count: 3
Topological Polar Surface Area: 72.6 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1
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