Gabapentin Impurity 25

CAT: 1596-AR-G01849-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-G01849-05Size:150

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

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CAS Number

479668-10-5

Molecular Formula

C9H15NO2

Molecular Weight

169.22

API Name

Gabapentin

Chemical Information

2-Hydroxy-2-azaspiro[4.5]decan-3-one

CAS Number	479668-10-5
PubChem CID	9855581
IUPAC Name	2-hydroxy-2-azaspiro[4.5]decan-3-one
Molecular Formula	C9H15NO2
Molecular Weight	169.22
XLogP	1.2
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	197

SMILES

C1CCC2(CC1)CC(=O)N(C2)O

InChI

InChI=1S/C9H15NO2/c11-8-6-9(7-10(8)12)4-2-1-3-5-9/h12H,1-7H2

InChIKey

UIOSVQXFOLWTQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 479668-10-5

CID: 9855581

Formula: C9H15NO2

MW: 169.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.22
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	169.110278721
Monoisotopic Mass	169.110278721
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	197
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