oxolane-2-carboximidamide hydrochloride

• ChemBase ID: 246567
• Molecular Formular: C5H11ClN2O
• Molecular Mass: 150.60664
• Monoisotopic Mass: 150.05599066
• SMILES: C(=N)(C1OCCC1)N.Cl
• Canonical SMILES: NC(=N)C1CCCO1.Cl
• InChI: InChI=1S/C5H10N2O.ClH/c6-5(7)4-2-1-3-8-4;/h4H,1-3H2,(H3,6,7);1H
• InChIKey: XPEDQFDKJGKRPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-2-carboximidamide hydrochloride
• IUPAC Traditional name: oxolane-2-carboximidamide hydrochloride
• Synonyms: oxolane-2-carboximidamide hydrochloride

Database IDs

• PubChem SID: 164302477
• PubChem CID: 69763046

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9261997
• LogD (pH = 7.4): -2.6066914
• Log P: -0.51682794
• Molar Refractivity: 40.7997 cm^3
• Polarizability: 11.785952 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.789

Product Information

• Purity: 95%