(15N3)guanidine hydrobromide

• ChemBase ID: 169791
• Molecular Formular: CH6BrN3
• Molecular Mass: 142.96266669
• Monoisotopic Mass: 141.96561389
• SMILES: Br.[15NH2]C(=[15NH])[15NH2]
• Canonical SMILES: [15NH2]C(=[15NH])[15NH2].Br
• InChI: InChI=1S/CH5N3.BrH/c2-1(3)4;/h(H5,2,3,4);1H/i2+1,3+1,4+1
• InChIKey: VQNVZLDDLJBKNS-ZNYUTZBJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^5N₃)guanidine hydrobromide
• IUPAC Traditional name: (^1^5N₃)guanidine hydrobromide
• Synonyms: Guanidine-15N3 Monohydrobromide; Guanidinium-15N3 Bromide; Guanidine-15N3 Hydrobromide

Database IDs

• PubChem SID: 162263923
• PubChem CID: 71317165

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.6522877
• LogD (pH = 7.4): -3.6514976
• Log P: -1.236839
• Molar Refractivity: 25.8588 cm^3
• Polarizability: 5.61125 Å^3
• Polar Surface Area: 75.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - G821232

Labelled Guanidine (G821230). It has a good bacterial and fungicidal efficacy when used in low concentration and can also be used as disinfectant.

REFERENCES

• Castellino, F.J. et al.: Biochem., 7, 4135 (1968)
• Scott, J.N. et al.: J. Phys. Chem. A, 112, 10939 (1968)