2-(pyrrolidin-1-yl)ethanimidamide hydrochloride

• ChemBase ID: 260282
• Molecular Formular: C6H14ClN3
• Molecular Mass: 163.64846
• Monoisotopic Mass: 163.08762514
• SMILES: N1(CC(=N)N)CCCC1.Cl
• Canonical SMILES: NC(=N)CN1CCCC1.Cl
• InChI: InChI=1S/C6H13N3.ClH/c7-6(8)5-9-3-1-2-4-9;/h1-5H2,(H3,7,8);1H
• InChIKey: XNBKCIHDMORPNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(pyrrolidin-1-yl)ethanimidamide hydrochloride
• Synonyms: 2-(pyrrolidin-1-yl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD12912762
• PubChem SID: 164316192
• PubChem CID: 45791536

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.278149
• LogD (pH = 7.4): -3.070459
• Log P: -0.6631642
• Molar Refractivity: 48.03 cm^3
• Polarizability: 14.440835 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Hydrophobicity(logP): -0.249

Product Information

• Purity: 95%