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

• ChemBase ID: 91232
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: O1CCN(CC1)Cc1cccc(c1)CNC
• Canonical SMILES: CNCc1cccc(c1)CN1CCOCC1
• InChI: InChI=1S/C13H20N2O/c1-14-10-12-3-2-4-13(9-12)11-15-5-7-16-8-6-15/h2-4,9,14H,5-8,10-11H2,1H3
• InChIKey: JZMYRFZAMCXUIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(morpholin-4-ylmethyl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[3-(morpholin-4-ylmethyl)phenyl]methyl})amine
• Synonyms: N-Methyl-N-[3-(morpholin-4-ylmethyl)benzyl]amine 95%; N-methyl-N-[3-(morpholin-4-ylmethyl)benzyl]amine

Database IDs

• CAS Number: 857283-92-2
• MDL Number: MFCD08060512
• PubChem SID: 162077936
• PubChem CID: 7537524

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3255322
• LogD (pH = 7.4): -1.0646317
• Log P: 1.254491
• Molar Refractivity: 66.9232 cm^3
• Polarizability: 26.246561 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-130°C
• Boiling Point: 9°C/8mm

Safety Information

• Storage Warning: Harmful/Flammable

Product Information

• Purity: 95%