Nitroguanidine

CH₄N₄O₂CAS 556-88-7104.07 g/mol

Open in Covalent MOL file

Guanidine Nitro

Properties

Molecular formula: CH₄N₄O₂
Molar mass: 104.07 g/mol
Exact mass: 104.0334 Da
Density: 0.91 g/mL
Melting point: 239 °C
logP: -1.34Crippen estimate
Polar surface area: 105.0 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

556-88-7

SMILES

N=C(N)N[N+](=O)[O-]

InChIKey

IDCPFAYURAQKDZ-UHFFFAOYSA-N

InChI

InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)

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Names and synonyms

14 names · show all

Guanidine, N-nitro-
Guanidine, nitro-
N-Nitroguanidine
α-Nitroguanidine
β-Nitroguanidine
Picrite (propellant)
N′′-Nitroguanidine
1-Nitroguanidine
N1-Nitroguanidine
Picrite
NQ
2-Nitroguanidine
NSC 41036
Lovex D 380

Reactions

NITROGUANIDINE (Guanidine, nitro-)product

Work with Nitroguanidine

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-Methyl-N′-nitroguanidine4245-76-547 % similar Aminoguanidine nitrate10308-82-442 % similar Methylnitronitrosoguanidine70-25-739 % similar 4,5-Dihydro-N-nitro-1H-imidazol-2-amine5465-96-335 % similar Nitroarginine2149-70-433 % similar Fox-7145250-81-331 % similar Aminoguanidine hydrochloride16139-18-731 % similar Aminoguanidinium chloride1937-19-531 % similar

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

Elsewhere

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