Amisulpride Impurity 2

CAT: 1299-RM-A131910-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A131910-02Size:25 mg

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CAS Number

84859-26-7

Synonyms

1-ethyl-2,2-dimethoxypyrrolidine

Molecular Formula

C8H17NO2

Molecular Weight

159.23

Target Alternative Name

Amisulpride

Product Name Synonym

1-ethyl-2,2-dimethoxypyrrolidine

Chemical Information

1-Ethyl-2,2-dimethoxypyrrolidine

CAS Number	84859-26-7
PubChem CID	13297990
IUPAC Name	1-ethyl-2,2-dimethoxypyrrolidine
Molecular Formula	C8H17NO2
Molecular Weight	159.23
XLogP	0.9
Topological Polar Surface Area	21.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	123

SMILES

CCN1CCCC1(OC)OC

InChI

InChI=1S/C8H17NO2/c1-4-9-7-5-6-8(9,10-2)11-3/h4-7H2,1-3H3

InChIKey

OSRAKVIKUXSLFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84859-26-7

CID: 13297990

Formula: C8H17NO2

MW: 159.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.23
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	159.125928785
Monoisotopic Mass	159.125928785
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	123
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