Abemaciclib Impurity 16

CAT: 1596-AR-A05146-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05146-01Size:50 Units

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

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CAS Number

1180132-17-5

Synonyms

5- ((4-Ethylpiperazin-1-yl) methyl) pyridin-2-amine

Molecular Formula

C12H20N4

Molecular Weight

220.3

API Name

Abemaciclib

Chemical Information

5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinamine

See also: 5-[(4-Ethylpiperazin-1-yl)methyl]pyridine-2-amine (annotation moved to).

CAS Number	1180132-17-5
PubChem CID	45489910
IUPAC Name	5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine
Molecular Formula	C12H20N4
Molecular Weight	220.31
XLogP	0.5
Topological Polar Surface Area	45.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	201

SMILES

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

InChI

InChI=1S/C12H20N4/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,(H2,13,14)

InChIKey

MNJBMPQTXVZMFZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1180132-17-5

CID: 45489910

Formula: C12H20N4

MW: 220.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.31
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	220.16879665
Monoisotopic Mass	220.16879665
Topological Polar Surface Area	45.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	201
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