Methyl N-Cyanoethanimideate

CAT: 0127-OR1013869-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1013869-01Size:5 g

Selected

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

Quick Request Actions

CAS Number

5652-84-6

MDL Number

MFCD05864418

Purity

98%

Smiles

CO\C(=N\C#N)\C

Chemical Information

Ethanimidic acid, N-cyano-, methyl ester

CAS Number	5652-84-6
PubChem CID	93008
IUPAC Name	methyl N-cyanoethanimidate
Molecular Formula	C4H6N2O
Molecular Weight	98.10
XLogP	0.4
Topological Polar Surface Area	45.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	119

SMILES

CC(=NC#N)OC

InChI

InChI=1S/C4H6N2O/c1-4(7-2)6-3-5/h1-2H3

InChIKey

LILTZUFNZDRURN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5652-84-6

CID: 93008

Formula: C4H6N2O

MW: 98.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.10
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	98.048012819
Monoisotopic Mass	98.048012819
Topological Polar Surface Area	45.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	119
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

Catalog	Name
OR1061572-01	N-Methyl-N-phenylmethacrylamide
OR1078542-01	N-Methyl-N-nitrosourethane
OR80447-01	N-Methyl-N-vinylacetamide
OR72534	N-Methyl-N-trimethylsilylacetamide
OR1060627-01	N-Methyl-N-phenylalanine
OR1048002-01	N-Methyl-N-tetradecanoylglycine
OR1007620-01	N-Methyl-N-phenylbenzamide
OR11216-01	N-Methyl-N-phenyurethane
OR1038470	N-Methyl-N'- (3-methyl-5-isoxazolyl) benzenecarboximidamide
OR30154	N-Methyl-N-[ (pyridin-3-yl) methyl]acetamide

Catalog	Name
AR-A06660-01	Methyl N-Methyl-N-Nitrosoanthranilate
RG-E140567-01	Methyl N-methyl-N- (nitroso) glycinate
M3547-27	N-Methyl-N-vinylacetamide (N-Ethenyl-N-methyl-acetamide)
sc-279773	N-methyl-N-[ (5-methyl-2-furyl) methyl]amine
sc-354044A	Methyl N-methyl-N- (4-nitrophenyl) carbamate
CS-EO-02264	N-Nitroso-N-Methyl-O-Methyl-Hydroxylamine
GWB18409-01	Methyl N-[ (4-aminophenyl) methyl]-N-methylcarbamate
RG-A262330-01	Methyl N-Acetyl-N-Methyl-D-Alaninate
AR-A06616-01	N-Nitroso N-Methyl-4-Methyl-Aniline
TRC-M303740-100MG	N'-Methyl-N,N-diphenylurea