Abemaciclib Impurity 70

CAT: 1299-RM-A305070-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A305070-04Size:100 mg

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CAS Number

827587-92-8

Synonyms

(6-aminopyridin-3-yl) (piperazin-1-yl) methanone

Molecular Formula

C10H14N4O

Molecular Weight

206.25

Target Alternative Name

Abemaciclib

Product Name Synonym

(6-aminopyridin-3-yl) (piperazin-1-yl) methanone

Chemical Information

(6-Aminopyridin-3-yl)(piperazin-1-yl)methanone

CAS Number	827587-92-8
PubChem CID	58772603
IUPAC Name	(6-amino-3-pyridinyl)-piperazin-1-ylmethanone
Molecular Formula	C10H14N4O
Molecular Weight	206.24
XLogP	0.6
Topological Polar Surface Area	71.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	227

SMILES

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

InChI

InChI=1S/C10H14N4O/c11-9-2-1-8(7-13-9)10(15)14-5-3-12-4-6-14/h1-2,7,12H,3-6H2,(H2,11,13)

InChIKey

CTDRSUHEUIYALU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 827587-92-8

CID: 58772603

Formula: C10H14N4O

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	206.11676108
Monoisotopic Mass	206.11676108
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	227
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