(2-Methyl-5-nitrophenyl)guanidine nitrate

C8H11N5O5CAS 152460-08-7257.21 g/mol

Open in Covalent MOL file
N+OO−NHHNH2NON+O−OH
GuanidineNitro

Properties

Molecular formula
C8H11N5O5
Molar mass
257.21 g/mol
Exact mass
257.0760 Da
Melting point
218–219 °C
logP
0.86Crippen estimate
Polar surface area
168.4 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
152460-08-7
SMILES
Cc1ccc([N+](=O)[O-])cc1NC(=N)N.O=[N+]([O-])O
InChIKey
IINMQQJNRFDBMV-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N4O2.HNO3/c1-5-2-3-6(12(13)14)4-7(5)11-8(9)10;2-1(3)4/h2-4H,1H3,(H4,9,10,11);(H,2,3,4)

Weigh it out

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

Names and synonyms

4 names
  • Guanidine, N-(2-methyl-5-nitrophenyl)-, nitrate (1:1)
  • Guanidine, (2-methyl-5-nitrophenyl)-, mononitrate
  • N-(2-Methyl-5-nitrophenyl)guanidine nitrate
  • 1-(2-Methyl-5-nitrophenyl)guanidine nitrate

Work with (2-Methyl-5-nitrophenyl)guanidine nitrate

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

4-Nitro-o-xylene99-51-445 % similar 2-Methyl-5-nitrophenol5428-54-644 % similar 2-Methyl-5-nitroaniline99-55-844 % similar Aminoguanidine nitrate10308-82-443 % similar 2,4-Dinitrotoluene121-14-243 % similar 2-Methyl-5-nitrobenzoic acid1975-52-643 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-842 % similar 2-Methyl-4-nitrophenol99-53-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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