3-(4-chlorophenyl)morpholine hydrochloride

• ChemBase ID: 76298
• Molecular Formular: C10H13Cl2NO
• Molecular Mass: 234.12232
• Monoisotopic Mass: 233.0374194
• SMILES: N1C(c2ccc(cc2)Cl)COCC1.Cl
• Canonical SMILES: Clc1ccc(cc1)C1NCCOC1.Cl
• InChI: InChI=1S/C10H12ClNO.ClH/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10;/h1-4,10,12H,5-7H2;1H
• InChIKey: VKUBCLCJPLUOTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)morpholine hydrochloride
• IUPAC Traditional name: 3-(4-chlorophenyl)morpholine hydrochloride
• Synonyms: 4-(Morpholin-3-yl)chlorobenzene hydrochloride; 3-(4-Chlorophenyl)morpholine hydrochloride

Database IDs

• MDL Number: MFCD03840089
• PubChem SID: 162041204
• PubChem CID: 17749821

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.21597534
• LogD (pH = 7.4): 1.4803052
• Log P: 1.976906
• Molar Refractivity: 52.8555 cm^3
• Polarizability: 21.040949 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant