2-(4-chlorophenyl)-2-methylmorpholine

• ChemBase ID: 297725
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: CC1(CNCCO1)c1ccc(cc1)Cl
• Canonical SMILES: CC1(OCCNC1)c1ccc(cc1)Cl
• InChI: InChI=1S/C11H14ClNO/c1-11(8-13-6-7-14-11)9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3
• InChIKey: IJDDASQRAPIORY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-2-methylmorpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-2-methylmorpholine
• Synonyms: 2-(4-Chlorophenyl)-2-methylmorpholine; 2-(4-氯苯基)-2-甲基吗啉

Database IDs

• CAS Number: 109461-44-1
• MDL Number: MFCD08061115
• PubChem SID: 180683256
• PubChem CID: 3066043

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.36513007
• LogD (pH = 7.4): 1.3598001
• Log P: 2.2574825
• Molar Refractivity: 57.4937 cm^3
• Polarizability: 22.878954 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%