methyl({[5-(morpholin-4-ylmethyl)furan-2-yl]methyl})amine

• ChemBase ID: 77946
• Molecular Formular: C11H18N2O2
• Molecular Mass: 210.27282
• Monoisotopic Mass: 210.13682783
• SMILES: O1CCN(CC1)Cc1ccc(o1)CNC
• Canonical SMILES: CNCc1ccc(o1)CN1CCOCC1
• InChI: InChI=1S/C11H18N2O2/c1-12-8-10-2-3-11(15-10)9-13-4-6-14-7-5-13/h2-3,12H,4-9H2,1H3
• InChIKey: RVGSMPQAXGUMNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(morpholin-4-ylmethyl)furan-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[5-(morpholin-4-ylmethyl)furan-2-yl]methyl})amine
• Synonyms: N-methyl-{[5-(morpholinomethyl)-2-furyl]methyl}amine; N-Methyl-1-[5-(morpholin-4-ylmethyl)furan-2-yl]methylamine; 4-{5-[(Methylamino)methyl]furan-2-ylmethyl}morpholine 97%

Database IDs

• CAS Number: 893741-66-7
• MDL Number: MFCD06803236
• PubChem SID: 162042787
• PubChem CID: 16495000

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2525065
• LogD (pH = 7.4): -0.7716541
• Log P: 0.23473872
• Molar Refractivity: 59.1916 cm^3
• Polarizability: 23.09322 Å^3
• Polar Surface Area: 37.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%