Ethyl Acetimidate

CAT: 1299-RG-P022671-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-P022671-02Size:25 mg

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CAS Number

1000-84-6

Synonyms

Ethyl acetimidate

Molecular Formula

C4H9NO

Molecular Weight

87.12

Product Name Synonym

Ethyl acetimidate

Chemical Information

Ethyl acetimidate

RN given refers to parent cpd

CAS Number	1000-84-6
PubChem CID	65066
IUPAC Name	ethyl ethanimidate
Molecular Formula	C4H9NO
Molecular Weight	87.12
XLogP	0.6
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	51

SMILES

CCOC(=N)C

InChI

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

InChIKey

JMIAPORGEDIDLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1000-84-6

CID: 65066

Formula: C4H9NO

MW: 87.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	87.12
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	87.068413911
Monoisotopic Mass	87.068413911
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	6
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	1
Compound Is Canonicalized	Yes

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Catalog	Name
OR903066-01	Ethyl acetimidate hydrochloride
TRC-E898828-10G	Ethyl Acetimidate Hydrochloride (>90%)
sc-235056	Ethyl N- (2,4-dinitrophenoxy) acetimidate
TRC-I345610-1G	2-(4-Isopropoxyphenyl)acetimidate Ethyl Ester
HY-W720071-01	Ethyl acetimidate-2,2,2-d3 hydrochloride
PC400662	Ethyl 2-[3-chloro-5- (trifluoromethyl) pyridin-2-yl]acetimidate hydrochloride
MBS5774210	Methyl acetimidate
283780-01	Methyl acetimidate hydrochloride
OR5155A-01	Trimethylsilyl N- (trimethylsilyl) acetimidate
239757-01	Methyl acetimidate hydrochloride 99+%