2-(morpholin-4-yl)ethanimidamide hydrochloride

• ChemBase ID: 272830
• Molecular Formular: C6H14ClN3O
• Molecular Mass: 179.64786
• Monoisotopic Mass: 179.08253976
• SMILES: N1(CC(=N)N)CCOCC1.Cl
• Canonical SMILES: NC(=N)CN1CCOCC1.Cl
• InChI: InChI=1S/C6H13N3O.ClH/c7-6(8)5-9-1-3-10-4-2-9;/h1-5H2,(H3,7,8);1H
• InChIKey: WGWXHYOWXGZQLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(morpholin-4-yl)ethanimidamide hydrochloride
• Synonyms: 2-(morpholin-4-yl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD18483194
• PubChem SID: 164328740
• PubChem CID: 14547439

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.7036846
• LogD (pH = 7.4): -3.69146
• Log P: -1.2874621
• Molar Refractivity: 49.5635 cm^3
• Polarizability: 15.148357 Å^3
• Polar Surface Area: 62.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.904

Product Information

• Purity: 95%