chempirical

N,O-Dimethyl-N'-nitroisourea

C3H7N3O3CAS 255708-80-6133.11 g/mol

Open in Covalent MOL file
NHNN+OO−O
HydrazoneNitro

Properties

Molecular formula
C3H7N3O3
Molar mass
133.11 g/mol
Exact mass
133.0487 Da
logP
-0.60Crippen estimate
Polar surface area
76.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
255708-80-6
SMILES
CN/C(=N/[N+](=O)[O-])/OC
InChIKey
ZWHCDLXHQMBZRD-UHFFFAOYSA-N
InChI
InChI=1S/C3H7N3O3/c1-4-3(9-2)5-6(7)8/h1-2H3,(H,4,5)

Weigh it out

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

Work with N,O-Dimethyl-N'-nitroisourea

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

1-Methoxy-1-methylamino-2-nitroethylene110763-36-541 % similar

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

Elsewhere

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