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

• ChemBase ID: 30896
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(Cc2c(CN)cccc2)CCOCC1
• Canonical SMILES: NCc1ccccc1CN1CCOCC1
• InChI: InChI=1S/C12H18N2O/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-10,13H2
• InChIKey: NMFAEZHWSZZJOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-ylmethyl)phenyl]methanamine
• IUPAC Traditional name: [2-(morpholin-4-ylmethyl)phenyl]methanamine
• Synonyms: 1-[2-(morpholin-4-ylmethyl)phenyl]methanamine; 1-[2-(Morpholin-4-ylmethyl)phenyl]methylamine 97%; 2-Morpholin-4-ylmethyl-benzylamine

Database IDs

• CAS Number: 91271-82-8
• MDL Number: MFCD06655814
• PubChem SID: 160994203
• PubChem CID: 4962390

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7740903
• LogD (pH = 7.4): -1.349623
• Log P: 0.82191056
• Molar Refractivity: 62.1486 cm^3
• Polarizability: 24.400963 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34 - 36°C
• Hydrophobicity(logP): 0.791

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%