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

• ChemBase ID: 28583
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2ccc(cc2)CN)CCOCC1
• Canonical SMILES: NCc1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C11H16N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-9,12H2
• InChIKey: LTILPSKZXNIITC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(morpholin-4-yl)phenyl]methanamine
• IUPAC Traditional name: [4-(morpholin-4-yl)phenyl]methanamine
• Synonyms: 4-Morpholin-4-ylbenzylamine; 4-morpholinobenzylamine; (4-morpholin-4-ylbenzyl)amine; 1-(4-Morpholin-4-ylphenyl)methanamine; [4-(morpholin-4-yl)phenyl]methanamine

Database IDs

• CAS Number: 214759-74-7
• MDL Number: MFCD02682050
• PubChem SID: 160991890
• PubChem CID: 2776458

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.010609
• LogD (pH = 7.4): -1.1739521
• Log P: 0.98855764
• Molar Refractivity: 58.0345 cm^3
• Polarizability: 22.164276 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 - 60°C
• Hydrophobicity(logP): 0.914

Safety Information

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

Product Information

• Purity: 95%; 97%