Abemaciclib Impurity 57

CAT: 1299-RM-A305057-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A305057-03Size:50 mg

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

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CAS Number

1275904-70-5

Synonyms

(6-aminopyridin-3-yl) (4-ethylpiperazin-1-yl) methanone

Molecular Formula

C12H18N4O

Molecular Weight

234.3

Target Alternative Name

Abemaciclib

Product Name Synonym

(6-aminopyridin-3-yl) (4-ethylpiperazin-1-yl) methanone

Chemical Information

5-(4-Ethylpiperazine-1-carbonyl)pyridin-2-amine

CAS Number	1275904-70-5
PubChem CID	55043386
IUPAC Name	(6-amino-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
Molecular Formula	C12H18N4O
Molecular Weight	234.30
XLogP	0.1
Topological Polar Surface Area	62.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	263

SMILES

CCN1CCN(CC1)C(=O)C2=CN=C(C=C2)N

InChI

InChI=1S/C12H18N4O/c1-2-15-5-7-16(8-6-15)12(17)10-3-4-11(13)14-9-10/h3-4,9H,2,5-8H2,1H3,(H2,13,14)

InChIKey

ZUNLIVVWFDQFJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1275904-70-5

CID: 55043386

Formula: C12H18N4O

MW: 234.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.30
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	234.14806121
Monoisotopic Mass	234.14806121
Topological Polar Surface Area	62.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	263
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