Nintedanib Impurity 125

CAT: 1299-RM-N140525-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N140525-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2243384-71-4

Synonyms

N- (4-aminophenyl) -N-methyl-2- (piperazin-1-yl) acetamide

Molecular Formula

C13H20N4O

Molecular Weight

248.32

Target Alternative Name

Nintedanib

Chemical Information

N-(4-Aminophenyl)-N-methyl-2-(piperazin-1-yl)acetamide

CAS Number	2243384-71-4
PubChem CID	129127615
IUPAC Name	N-(4-aminophenyl)-N-methyl-2-piperazin-1-ylacetamide
Molecular Formula	C13H20N4O
Molecular Weight	248.32
XLogP	0
Topological Polar Surface Area	61.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	270

SMILES

CN(C1=CC=C(C=C1)N)C(=O)CN2CCNCC2

InChI

InChI=1S/C13H20N4O/c1-16(12-4-2-11(14)3-5-12)13(18)10-17-8-6-15-7-9-17/h2-5,15H,6-10,14H2,1H3

InChIKey

MONQAFXEQPYUOJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2243384-71-4

CID: 129127615

Formula: C13H20N4O

MW: 248.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.32
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	248.16371127
Monoisotopic Mass	248.16371127
Topological Polar Surface Area	61.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	270
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes