2-methyl-2-phenylmorpholine

• ChemBase ID: 238185
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1(OCCNC1)(c1ccccc1)C
• Canonical SMILES: CC1(OCCNC1)c1ccccc1
• InChI: InChI=1S/C11H15NO/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
• InChIKey: NCMLYFQBONKWAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-phenylmorpholine
• IUPAC Traditional name: 2-methyl-2-phenylmorpholine
• Synonyms: 2-methyl-2-phenylmorpholine; 2-Methyl-2-phenylmorpholine; 2-甲基-2-苯基吗啉

Database IDs

• CAS Number: 109461-41-8
• MDL Number: MFCD09901613
• PubChem SID: 164294095
• PubChem CID: 3066037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9966475
• LogD (pH = 7.4): 0.7237572
• Log P: 1.653438
• Molar Refractivity: 52.6889 cm^3
• Polarizability: 21.03514 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35-37°C
• Hydrophobicity(logP): 1.669

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: 95%; 98%