2-methyl-4-(morpholin-4-yl)aniline

• ChemBase ID: 47868
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2cc(c(cc2)N)C)CCOCC1
• Canonical SMILES: Nc1ccc(cc1C)N1CCOCC1
• InChI: InChI=1S/C11H16N2O/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
• InChIKey: ZGJUJDQANIYVAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(morpholin-4-yl)aniline
• IUPAC Traditional name: 2-methyl-4-(morpholin-4-yl)aniline
• Synonyms: 2-Methyl-4-(4-morpholinyl)aniline; 2-methyl-4-morpholin-4-ylaniline

Database IDs

• CAS Number: 581-00-0
• MDL Number: MFCD10686817
• PubChem SID: 162052631
• PubChem CID: 21955000

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1325533
• LogD (pH = 7.4): 1.5385538
• Log P: 1.5472846
• Molar Refractivity: 59.3027 cm^3
• Polarizability: 21.699345 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 1.184

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%