N-(4-Aminophenyl)-N-methyl-2-(4-methyl-1-piperazinyl)acetamide - CAS 262368-30-9

Name: N-(4-Aminophenyl)-N-methyl-2-(4-methyl-1-piperazinyl)acetamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

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-

Technical Data

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