1-amino-3-methylguanidine hydroiodide

• ChemBase ID: 83749
• Molecular Formular: C2H9IN4
• Molecular Mass: 216.02413
• Monoisotopic Mass: 215.98719431
• SMILES: N=C(NN)NC.I
• Canonical SMILES: CNC(=N)NN.I
• InChI: InChI=1S/C2H8N4.HI/c1-5-2(3)6-4;/h4H2,1H3,(H3,3,5,6);1H
• InChIKey: APGVZAAHWBJTFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-methylguanidine hydroiodide
• IUPAC Traditional name: 1-amino-3-methylguanidine hydroiodide
• Synonyms: N-Methylhydrazinecarboximidamide hydroiodide; 1-Amino-3-methylguanidine hydroiodide

Database IDs

• CAS Number: 33398-79-7
• MDL Number: MFCD00179313
• PubChem SID: 162070866
• PubChem CID: 2780866

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -3.6441038
• LogD (pH = 7.4): -3.6052456
• Log P: -1.190872
• Molar Refractivity: 45.6103 cm^3
• Polarizability: 8.868321 Å^3
• Polar Surface Area: 73.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): -1.695

Safety Information

• Storage Warning: Irritant/Keep Cold/Store under Argon

Product Information

• Purity: 95%