2-cyclobutylethanimidamide hydrochloride

• ChemBase ID: 248582
• Molecular Formular: C6H13ClN2
• Molecular Mass: 148.63382
• Monoisotopic Mass: 148.07672611
• SMILES: C(=N)(CC1CCC1)N.Cl
• Canonical SMILES: NC(=N)CC1CCC1.Cl
• InChI: InChI=1S/C6H12N2.ClH/c7-6(8)4-5-2-1-3-5;/h5H,1-4H2,(H3,7,8);1H
• InChIKey: UAKHWVLZWMDIRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutylethanimidamide hydrochloride
• IUPAC Traditional name: 2-cyclobutylethanimidamide hydrochloride
• Synonyms: 2-cyclobutylethanimidamide hydrochloride

Database IDs

• PubChem SID: 164304492
• PubChem CID: 71758532

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9629471
• LogD (pH = 7.4): -1.9625162
• Log P: 0.4525062
• Molar Refractivity: 43.6353 cm^3
• Polarizability: 12.913929 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.308

Product Information

• Purity: 95%