pyrrolidine-1-carboximidamide hydroiodide

• ChemBase ID: 101611
• Molecular Formular: C5H12IN3
• Molecular Mass: 241.07335
• Monoisotopic Mass: 241.0075954
• SMILES: C(=N)(N1CCCC1)N.I
• Canonical SMILES: NC(=N)N1CCCC1.I
• InChI: InChI=1S/C5H11N3.HI/c6-5(7)8-3-1-2-4-8;/h1-4H2,(H3,6,7);1H
• InChIKey: XPASGQSDLPDWNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolidine-1-carboximidamide hydroiodide
• IUPAC Traditional name: pyrrolidine-1-carboximidamide hydroiodide
• Synonyms: pyrrolidine-1-carboximidamide hydroiodide

Database IDs

• CAS Number: 102392-83-6
• MDL Number: MFCD00114285
• PubChem SID: 162088625
• PubChem CID: 2794596

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.70691
• LogD (pH = 7.4): -2.7064862
• Log P: -0.29145607
• Molar Refractivity: 43.4691 cm^3
• Polarizability: 12.215329 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%