Ethyl acetimidate hydrochloride

CAT: 0127-OR903066-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR903066-01Size:100 g

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CAS Number

2208-07-3

MDL Number

MFCD00012572

Purity

95%

Smiles

Cl.CCOC(=N)C

Chemical Information

Ethanimidic acid, ethyl ester, hydrochloride (1:1)

CAS Number	2208-07-3
PubChem CID	2724290
IUPAC Name	ethyl ethanimidate;hydrochloride
Molecular Formula	C4H10ClNO
Molecular Weight	123.58
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	51

SMILES

CCOC(=N)C.Cl

InChI

InChI=1S/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H

InChIKey

WGMHMVLZFAJNOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2208-07-3

CID: 2724290

Formula: C4H10ClNO

MW: 123.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	123.58
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	123.0450916
Monoisotopic Mass	123.0450916
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	51.5
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

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Catalog	Name
sc-280707	Ethyl acetimidate hydrochloride
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