methyl({[4-(morpholin-4-yl)phenyl]methyl})amine

• ChemBase ID: 35489
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2ccc(cc2)CNC)CCOCC1
• Canonical SMILES: CNCc1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C12H18N2O/c1-13-10-11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,13H,6-10H2,1H3
• InChIKey: LLNHXXWEDXRMFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[4-(morpholin-4-yl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[4-(morpholin-4-yl)phenyl]methyl})amine
• Synonyms: N-[4-(Morpholin-4-yl)benzyl]methylamine; 4-{4-[(Methylamino)methyl]phenyl}morpholine; N-Methyl-4-(morpholin-4-yl)benzylamine 97%; N-Methyl-N-(4-morpholin-4-ylbenzyl)amine

Database IDs

• CAS Number: 179328-22-4
• MDL Number: MFCD07348565
• PubChem SID: 160998796
• PubChem CID: 7060570

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.784962
• LogD (pH = 7.4): -0.9273993
• Log P: 1.421138
• Molar Refractivity: 62.8091 cm^3
• Polarizability: 24.008648 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.33

Safety Information

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

Product Information

• Purity: 95%