3-(4-methylphenyl)morpholine hydrochloride

• ChemBase ID: 76299
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: N1C(c2ccc(cc2)C)COCC1.Cl
• Canonical SMILES: Cc1ccc(cc1)C1NCCOC1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)11-8-13-7-6-12-11;/h2-5,11-12H,6-8H2,1H3;1H
• InChIKey: GBEZZTSPCWVJES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylphenyl)morpholine hydrochloride
• IUPAC Traditional name: 3-(4-methylphenyl)morpholine hydrochloride
• Synonyms: 3-(4-Methylphenyl) morpholine hydrochloride

Database IDs

• MDL Number: MFCD03840091
• PubChem SID: 162041205
• PubChem CID: 17749823

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.47540802
• LogD (pH = 7.4): 1.2516217
• Log P: 1.8862827
• Molar Refractivity: 53.0919 cm^3
• Polarizability: 20.957623 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant