2-amino-1,3-dimethylguanidine hydroiodide

• ChemBase ID: 247089
• Molecular Formular: C3H11IN4
• Molecular Mass: 230.05071
• Monoisotopic Mass: 230.00284437
• SMILES: C(=NN)(NC)NC.I
• Canonical SMILES: CNC(=NN)NC.I
• InChI: InChI=1S/C3H10N4.HI/c1-5-3(6-2)7-4;/h4H2,1-2H3,(H2,5,6,7);1H
• InChIKey: OQOKBKZRXOPPTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1,3-dimethylguanidine hydroiodide
• IUPAC Traditional name: 2-amino-1,3-dimethylguanidine hydroiodide
• Synonyms: 2-amino-1,3-dimethylguanidine hydroiodide

Database IDs

• PubChem SID: 164302999
• PubChem CID: 12252705

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3933535
• LogD (pH = 7.4): -3.377844
• Log P: -0.9780959
• Molar Refractivity: 29.4772 cm^3
• Polarizability: 10.697761 Å^3
• Polar Surface Area: 62.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 259 - 261°C
• Hydrophobicity(logP): -0.939

Product Information

• Purity: 95%