N-Methyl-N-nitrosourethane

C₄H₈N₂O₃CAS 615-53-2132.12 g/mol

Open in Covalent MOL file

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)
Water solubility: 37 g/L (25 °C)
logP: 0.76Crippen estimate
Polar surface area: 59.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H341 Suspected of causing genetic defects100% of notifiers
H351 Suspected of causing cancer100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

NITROSOMETHYLURETHANE (Carbamic acid, methylnitroso-, ethyl ester)product

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

N-Carbethoxy-4-tropinone32499-64-243 % similar Ethyl 4-amino-1-piperidinecarboxylate58859-46-443 % similar Ethyl 4-hydroxypiperidine-1-carboxylate65214-82-643 % similar Ethyl 1-piperazinecarboxylate120-43-443 % similar 1-(Ethoxycarbonyl)-4-piperidone29976-53-243 % similar Ethyl methyl(phenyl)carbamate2621-79-642 % similar Ethyl 4-(methylamino)-1-piperidinecarboxylate73733-69-441 % similar 1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-241 % 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 DL-Asparagine3130-87-8 Ethyl 2-hydrazinyl-2-oxoacetate35196-48-6 4-Nitromorpholine4164-32-3 Glycine, 1,1′-anhydride4202-74-8 Glycylglycine556-50-3

Elsewhere

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