1,2,3-trimethylguanidine hydroiodide

• ChemBase ID: 79564
• Molecular Formular: C4H12IN3
• Molecular Mass: 229.06265
• Monoisotopic Mass: 229.0075954
• SMILES: N(=C(NC)NC)C.I
• Canonical SMILES: CNC(=NC)NC.I
• InChI: InChI=1S/C4H11N3.HI/c1-5-4(6-2)7-3;/h1-3H3,(H2,5,6,7);1H
• InChIKey: HWZWLMPFFGWOIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-trimethylguanidine hydroiodide
• IUPAC Traditional name: 1,2,3-trimethylguanidine hydroiodide
• Synonyms: N,N',N''-trimethylguanidine hydroiodide

Database IDs

• MDL Number: MFCD00100533
• PubChem SID: 162044327
• PubChem CID: 2775215

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8733974
• LogD (pH = 7.4): -2.8729393
• Log P: -0.45794415
• Molar Refractivity: 29.8898 cm^3
• Polarizability: 11.100082 Å^3
• Polar Surface Area: 36.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true