(2-Methyl-5-nitrophenyl)guanidine nitrate

C₈H₁₁N₅O₅CAS 152460-08-7257.21 g/mol

Open in Covalent MOL file

Alcohol Nitro Primary Amine Secondary Amine Tertiary Amine

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 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 2

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)

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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

Elsewhere

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