Gabapentin Impurity 9

CAT: 1596-AR-G01855-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G01855-04Size:100 Units

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

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CAS Number

227626-60-0

Synonyms

2- (1- (((tert-butoxycarbonyl) amino) methyl) cyclohexyl) acetic acid

Molecular Formula

C14H25NO4

Molecular Weight

271.36

API Name

Gabapentin

Chemical Information

2-(1-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexyl)acetic acid

CAS Number	227626-60-0
PubChem CID	2755941
IUPAC Name	2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetic acid
Molecular Formula	C14H25NO4
Molecular Weight	271.35
XLogP	2.7
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	327

SMILES

CC(C)(C)OC(=O)NCC1(CCCCC1)CC(=O)O

InChI

InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-10-14(9-11(16)17)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)

InChIKey

YOOHANJKYCQHED-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 227626-60-0

CID: 2755941

Formula: C14H25NO4

MW: 271.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.35
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	271.17835828
Monoisotopic Mass	271.17835828
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	327
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