2-methyl-2-(4-methylphenyl)morpholine

• ChemBase ID: 289155
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: Cc1ccc(C2(C)CNCCO2)cc1
• Canonical SMILES: CC1(OCCNC1)c1ccc(cc1)C
• InChI: InChI=1S/C12H17NO/c1-10-3-5-11(6-4-10)12(2)9-13-7-8-14-12/h3-6,13H,7-9H2,1-2H3
• InChIKey: NQYMBSUCKZVKFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(4-methylphenyl)morpholine
• IUPAC Traditional name: 2-methyl-2-(4-methylphenyl)morpholine
• Synonyms: 2-Methyl-2-(p-tolyl)morpholine; 2-Methyl-2-(4-methylphenyl)morpholine; 2-Methyl-2-(p-tolyl)morpholine; 2-甲基-2-对甲苯基吗啉

Database IDs

• CAS Number: 902836-81-1
• MDL Number: MFCD08060961
• PubChem SID: 180674686
• PubChem CID: 24208807

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.49939415
• LogD (pH = 7.4): 1.2178775
• Log P: 2.1668594
• Molar Refractivity: 57.7301 cm^3
• Polarizability: 22.801226 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49-51°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%