methyl({[3-(morpholin-4-yl)phenyl]methyl})amine

• ChemBase ID: 91234
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N(Cc1cc(ccc1)N1CCOCC1)C
• Canonical SMILES: CNCc1cccc(c1)N1CCOCC1
• InChI: InChI=1S/C12H18N2O/c1-13-10-11-3-2-4-12(9-11)14-5-7-15-8-6-14/h2-4,9,13H,5-8,10H2,1H3
• InChIKey: NMXQVDADIRIPAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(morpholin-4-yl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[3-(morpholin-4-yl)phenyl]methyl})amine
• Synonyms: N-Methyl-1-[3-(morpholin-4-yl)phenyl]methylamine; N-Methyl-3-(morpholin-4-yl)benzylamine; N-methyl-N-(3-morpholin-4-ylbenzyl)amine

Database IDs

• CAS Number: 864068-83-7
• MDL Number: MFCD07772813
• PubChem SID: 162077938
• PubChem CID: 7164586

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.778958
• LogD (pH = 7.4): -0.86587995
• Log P: 1.421138
• Molar Refractivity: 62.8091 cm^3
• Polarizability: 24.008686 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 134-137°C
• Flash Point: 43°C

Safety Information

• Storage Warning: Flammable

Product Information

• Purity: 97%