4-(2,6-dimethylmorpholin-4-yl)aniline

• ChemBase ID: 18064
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2ccc(N)cc2)CC(OC(C1)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1ccc(cc1)N
• InChI: InChI=1S/C12H18N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8,13H2,1-2H3
• InChIKey: SMOGUURTGJUNNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dimethylmorpholin-4-yl)aniline
• IUPAC Traditional name: 4-(2,6-dimethylmorpholin-4-yl)aniline
• Synonyms: 4-(2,6-Dimethylmorpholino)aniline; 4-(2,6-dimethyl-4-morpholinyl)aniline; 4-(2,6-dimethylmorpholin-4-yl)aniline

Database IDs

• CAS Number: 218930-10-0
• MDL Number: MFCD00051574
• PubChem SID: 160981371
• PubChem CID: 2794566

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3402898
• LogD (pH = 7.4): 1.8541136
• Log P: 1.8670133
• Molar Refractivity: 63.0991 cm^3
• Polarizability: 23.620146 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 63 °C; 73 - 75°C
• Hydrophobicity(logP): 1.409

Safety Information

• Storage Condition: Store under N2
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%