2-cyclopentylethanimidamide hydrochloride

• ChemBase ID: 246897
• Molecular Formular: C7H15ClN2
• Molecular Mass: 162.6604
• Monoisotopic Mass: 162.09237617
• SMILES: C(=N)(CC1CCCC1)N.Cl
• Canonical SMILES: NC(=N)CC1CCCC1.Cl
• InChI: InChI=1S/C7H14N2.ClH/c8-7(9)5-6-3-1-2-4-6;/h6H,1-5H2,(H3,8,9);1H
• InChIKey: SDICDZPPQWKMDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12032119
• PubChem SID: 164302807
• PubChem CID: 68938064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5183784
• LogD (pH = 7.4): -1.5179476
• Log P: 0.8970749
• Molar Refractivity: 48.2363 cm^3
• Polarizability: 14.756851 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 0.867

Product Information

• Purity: 95%