imidazolidin-2-imine hydrobromide

• ChemBase ID: 246136
• Molecular Formular: C3H8BrN3
• Molecular Mass: 166.01972
• Monoisotopic Mass: 164.99015927
• SMILES: C1(=N)NCCN1.Br
• Canonical SMILES: N=C1NCCN1.Br
• InChI: InChI=1S/C3H7N3.BrH/c4-3-5-1-2-6-3;/h1-2H2,(H3,4,5,6);1H
• InChIKey: WKRLLZZGRLNCQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazolidin-2-imine hydrobromide
• IUPAC Traditional name: imidazolidin-2-imine hydrobromide
• Synonyms: imidazolidin-2-imine hydrobromide

Database IDs

• MDL Number: MFCD08704590
• PubChem SID: 164302046
• PubChem CID: 458635

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.268585
• LogD (pH = 7.4): -3.2670789
• Log P: -0.8531452
• Molar Refractivity: 33.439 cm^3
• Polarizability: 8.550179 Å^3
• Polar Surface Area: 47.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): -1.772

Product Information

• Purity: 95%