Gabapentin Ethyl Ester Hydrochloride

CAT: 0926-KCA17504-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-KCA17504-01Size:50 mg

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

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CAS Number

60175-04-4

MDL Number

MFCD10566332

Smiles

CCOC (=O) CC1 (CCCCC1) CN.Cl

Molecular Formula

C11H21NO2

Molecular Weight

199.26 g/mol

Controlled

Yes

Chemical Information

Ethyl 2-[1-(aminomethyl)cyclohexyl]acetate hydrochloride

CAS Number	60175-04-4
PubChem CID	23446038
IUPAC Name	ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride
Molecular Formula	C11H22ClNO2
Molecular Weight	235.75
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	186

SMILES

CCOC(=O)CC1(CCCCC1)CN.Cl

InChI

InChI=1S/C11H21NO2.ClH/c1-2-14-10(13)8-11(9-12)6-4-3-5-7-11;/h2-9,12H2,1H3;1H

InChIKey

UHYCAUUDSWTCMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60175-04-4

CID: 23446038

Formula: C11H22ClNO2

MW: 235.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.75
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	235.1339066
Monoisotopic Mass	235.1339066
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	186
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	2
Compound Is Canonicalized	Yes

Catalog	Name
FG43012-01	Gabapentin Hydrochloride
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