Palbociclib Impurity 5

CAT: 1299-RM-P020331-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P020331-02Size:25 mg

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

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CAS Number

1082876-26-3

Synonyms

5- (piperazin-1-yl) pyridin-2-amine

Molecular Formula

C9H14N4

Molecular Weight

178.23

Target Alternative Name

Palbociclib

Product Name Synonym

5- (piperazin-1-yl) pyridin-2-amine

Chemical Information

5-(1-Piperazinyl)-2-pyridinamine

CAS Number	1082876-26-3
PubChem CID	28333457
IUPAC Name	5-piperazin-1-ylpyridin-2-amine
Molecular Formula	C9H14N4
Molecular Weight	178.23
XLogP	0
Topological Polar Surface Area	54.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	156

SMILES

C1CN(CCN1)C2=CN=C(C=C2)N

InChI

InChI=1S/C9H14N4/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2,(H2,10,12)

InChIKey

VBBGHNGROGZGHG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1082876-26-3

CID: 28333457

Formula: C9H14N4

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	178.121846464
Monoisotopic Mass	178.121846464
Topological Polar Surface Area	54.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156
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