[2-(morpholin-4-yl)ethyl]urea hydrochloride

• ChemBase ID: 266405
• Molecular Formular: C7H16ClN3O2
• Molecular Mass: 209.67384
• Monoisotopic Mass: 209.09310445
• SMILES: C(=O)(NCCN1CCOCC1)N.Cl
• Canonical SMILES: NC(=O)NCCN1CCOCC1.Cl
• InChI: InChI=1S/C7H15N3O2.ClH/c8-7(11)9-1-2-10-3-5-12-6-4-10;/h1-6H2,(H3,8,9,11);1H
• InChIKey: YTZCXSXEMBVRKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)ethyl]urea hydrochloride
• IUPAC Traditional name: 2-(morpholin-4-yl)ethylurea hydrochloride
• Synonyms: [2-(morpholin-4-yl)ethyl]urea hydrochloride

Database IDs

• MDL Number: MFCD15209664
• PubChem SID: 164322315
• PubChem CID: 47002690

CALCULATED PROPERTIES

• Acid pKa: 15.426747
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2176933
• LogD (pH = 7.4): -1.3744695
• Log P: -1.3400137
• Molar Refractivity: 45.1329 cm^3
• Polarizability: 17.506388 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): -0.824

Product Information

• Purity: 95%