chempirical

1-Methoxy-1-methylamino-2-nitroethylene

C4H8N2O3CAS 110763-36-5132.12 g/mol

Open in Covalent MOL file
NHN+OO−O
AlkeneEtherNitroSecondary amine

Properties

Molecular formula
C4H8N2O3
Molar mass
132.12 g/mol
Exact mass
132.0535 Da
logP
-0.07Crippen estimate
Polar surface area
64.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
110763-36-5
SMILES
CN/C(=C\[N+](=O)[O-])/OC
InChIKey
ISROKTUWQRVBQO-ONEGZZNKSA-N
InChI
InChI=1S/C4H8N2O3/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3/b4-3+

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Methoxy-1-methylamino-2-nitroethylene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methyl-1-(methylthio)-2-nitroethenamine61832-41-549 % similar 1,1-Bis(methylthio)-2-nitroethylene13623-94-438 % similar N-Methyl-N′-nitroguanidine4245-76-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-oximinooxamate10489-74-4 D-Asparagine2058-58-4 Asparagine3130-87-8 Glycine, 1,1′-anhydride4202-74-8 Glycylglycine556-50-3 N-Methyl-N-nitrosourethane615-53-2 Ethyl N-(aminocarbonyl)carbamate626-36-8 Asparagine70-47-3

Elsewhere

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