chempirical

Nitrourea

CH3N3O3CAS 556-89-8105.05 g/mol

Open in Covalent MOL file
OH2NNHN+OO−
NitroUrea

Properties

Molecular formula
CH3N3O3
Molar mass
105.05 g/mol
Exact mass
105.0174 Da
logP
-1.15Crippen estimate
Polar surface area
98.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
556-89-8
SMILES
C(=O)(N)N[N+](=O)[O-]
InChIKey
CMUOJBJRZUHRMU-UHFFFAOYSA-N
InChI
InChI=1S/CH3N3O3/c2-1(5)3-4(6)7/h(H3,2,3,5)

Weigh it out

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

Names and synonyms

8 names
  • N-Nitrocarbamide
  • 1-Nitrourea
  • N-Nitrourea
  • Nitro urea
  • Urea, N-nitro-
  • Nitroharnstoff
  • Nitro isourea
  • Nitro urea [UN0147] [Explosive 1.1D]

Work with Nitrourea

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

Nitroguanidine556-88-752 % similar N-Methyl-N′-nitroguanidine4245-76-539 % similar 4,5-Dihydro-N-nitro-1H-imidazol-2-amine5465-96-336 % similar Methylnitronitrosoguanidine70-25-732 % similar Fox-7145250-81-332 % similar 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine153719-38-131 % similar Nitroarginine2149-70-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook