[2-(morpholin-4-yl)phenyl]methanamine

• ChemBase ID: 49098
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2c(CN)cccc2)CCOCC1
• Canonical SMILES: NCc1ccccc1N1CCOCC1
• InChI: InChI=1S/C11H16N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-9,12H2
• InChIKey: RNYURNUANACIKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)phenyl]methanamine
• IUPAC Traditional name: [2-(morpholin-4-yl)phenyl]methanamine
• Synonyms: [2-(morpholin-4-yl)phenyl]methanamine; 2-(Morpholin-4-yl)benzylamine 97%; 2-morpholinobenzylamine; [2-(4-Morpholinyl)phenyl]methanamine

Database IDs

• CAS Number: 204078-48-8
• MDL Number: MFCD03086183
• PubChem SID: 162053861
• PubChem CID: 2776563

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9343032
• LogD (pH = 7.4): -0.6737809
• Log P: 0.98855764
• Molar Refractivity: 58.0345 cm^3
• Polarizability: 22.164558 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.914

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%