Nitrourea

CH₃N₃O₃CAS 556-89-8105.05 g/mol

Open in Covalent MOL file

Nitro Urea

Properties

Molecular formula: CH₃N₃O₃
Molar mass: 105.05 g/mol
Exact mass: 105.0174 Da
logP: -1.15Crippen estimate
Polar surface area: 98.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H201 (Deleted) Explosive; mass explosion hazard100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P210, P230, P240, P250, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P380, P372, P373, P401, P501

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]

Reactions

NITROUREA (Urea, nitro-)product

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 N-Nitro-S-methylisothiourea2986-25-638 % similar 4,5-Dihydro-N-nitro-1H-imidazol-2-amine5465-96-336 % similar Hydroxyurea8029-68-335 % similar N'-Nitro-D-arginine66036-77-933 % similar Methylnitronitrosoguanidine70-25-732 % similar Fox-7145250-81-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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