Abemaciclib Impurity 23

CAT: 1299-RM-A305023-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A305023-01Size:10 mg

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

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CAS Number

1231930-25-8

Synonyms

1- ((6-bromopyridin-3-yl) methyl) -4-ethylpiperazine

Molecular Formula

C12H18BrN3

Molecular Weight

284.2

Target Alternative Name

Abemaciclib

Product Name Synonym

1- ((6-bromopyridin-3-yl) methyl) -4-ethylpiperazine

Chemical Information

1-[(6-Bromopyridin-3-yl)methyl]-4-ethylpiperazine

CAS Number	1231930-25-8
PubChem CID	86642886
IUPAC Name	1-[(6-bromo-3-pyridinyl)methyl]-4-ethylpiperazine
Molecular Formula	C12H18BrN3
Molecular Weight	284.20
XLogP	1.9
Topological Polar Surface Area	19.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	204

SMILES

CCN1CCN(CC1)CC2=CN=C(C=C2)Br

InChI

InChI=1S/C12H18BrN3/c1-2-15-5-7-16(8-6-15)10-11-3-4-12(13)14-9-11/h3-4,9H,2,5-8,10H2,1H3

InChIKey

DMNPLEDMMNWHTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1231930-25-8

CID: 86642886

Formula: C12H18BrN3

MW: 284.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.20
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	283.06841
Monoisotopic Mass	283.06841
Topological Polar Surface Area	19.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	204
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