chempirical

N-Methyl-N-nitrosourethane

C4H8N2O3CAS 615-53-2132.12 g/mol

Open in Covalent MOL file
OONNO
Carbamate

Properties

Molecular formula
C4H8N2O3
Molar mass
132.12 g/mol
Exact mass
132.0535 Da
Density
1.133 g/mL (at 20 °C)
Boiling point
70 °C (at 27 Torr)
logP
0.76Crippen estimate
Polar surface area
59.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
615-53-2
SMILES
CCOC(=O)N(C)N=O
InChIKey
CAUBWLYZCDDYEF-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3

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Names and synonyms

9 names
  • Carbamic acid, N-methyl-N-nitroso-, ethyl ester
  • Carbamic acid, methylnitroso-, ethyl ester
  • Nitrosomethylurethane
  • Methylnitrosourethane
  • N-Nitroso-N-methylurethane
  • NSC 2860
  • Ethyl N-methylnitrosocarbamate
  • NMU
  • Ethyl N-methyl-N-nitrosocarbamate

Reactions

Work with N-Methyl-N-nitrosourethane

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

Ethyl 4-amino-1-piperidinecarboxylate58859-46-443 % similar Ethyl 4-hydroxy-1-piperidinecarboxylate65214-82-643 % similar Ethyl 1-piperazinecarboxylate120-43-443 % similar 1-(Ethoxycarbonyl)-4-piperidone29976-53-243 % similar Ethyl N-methyl-N-phenylcarbamate2621-79-642 % similar Ethyl 4-(methylamino)-1-piperidinecarboxylate73733-69-441 % similar Ethyl N,N-diphenylcarbamate603-52-141 % similar 1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-640 % similar

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

Same formula

Ethyl 2-oximinooxamate10489-74-4 1-Methoxy-1-methylamino-2-nitroethylene110763-36-5 D-Asparagine2058-58-4 Asparagine3130-87-8 Glycine, 1,1′-anhydride4202-74-8 Glycylglycine556-50-3 Ethyl N-(aminocarbonyl)carbamate626-36-8 Asparagine70-47-3

Elsewhere

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