Buspirone EP Impurity G

CAT: 1299-RM-B161807-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B161807-01Size:10 mg

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

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CAS Number

84746-24-7

Synonyms

1,4-di (pyrimidin-2-yl) piperazine

Molecular Formula

C12H14N6

Molecular Weight

242.29

Target Alternative Name

Buspirone

Product Name Synonym

2,2′- (Piperazine-1,4-diyl) dipyrimidine

Chemical Information

1,4-Di(pyrimidin-2-yl)piperazine

CAS Number	84746-24-7
PubChem CID	3228611
IUPAC Name	2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
Molecular Formula	C12H14N6
Molecular Weight	242.28
XLogP	0.9
Topological Polar Surface Area	58
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	215

SMILES

C1CN(CCN1C2=NC=CC=N2)C3=NC=CC=N3

InChI

InChI=1S/C12H14N6/c1-3-13-11(14-4-1)17-7-9-18(10-8-17)12-15-5-2-6-16-12/h1-6H,7-10H2

InChIKey

CGDIIYVMINKXRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84746-24-7

CID: 3228611

Formula: C12H14N6

MW: 242.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.28
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	242.12799447
Monoisotopic Mass	242.12799447
Topological Polar Surface Area	58 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	215
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