(2-iodoethyl)(methyl)amine hydroiodide

• ChemBase ID: 283335
• Molecular Formular: C3H9I2N
• Molecular Mass: 312.9192
• Monoisotopic Mass: 312.88244529
• SMILES: N(CCI)C.I
• Canonical SMILES: CNCCI.I
• InChI: InChI=1S/C3H8IN.HI/c1-5-3-2-4;/h5H,2-3H2,1H3;1H
• InChIKey: XOWKUARMQJIBFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-iodoethyl)(methyl)amine hydroiodide
• IUPAC Traditional name: (2-iodoethyl)(methyl)amine hydroiodide
• Synonyms: (2-iodoethyl)(methyl)amine hydroiodide

Database IDs

• MDL Number: MFCD08582734
• PubChem SID: 180668866
• PubChem CID: 17138989

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1764293
• LogD (pH = 7.4): -0.8439822
• Log P: 0.9314769
• Molar Refractivity: 32.4229 cm^3
• Polarizability: 12.89601 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): 0.604

Product Information

• Purity: 95%