(4-methylmorpholin-3-yl)methanamine

• ChemBase ID: 288918
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: NCC1N(C)CCOC1
• Canonical SMILES: CN1CCOCC1CN
• InChI: InChI=1S/C6H14N2O/c1-8-2-3-9-5-6(8)4-7/h6H,2-5,7H2,1H3
• InChIKey: SDKGAFHSAMMJKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylmorpholin-3-yl)methanamine
• IUPAC Traditional name: (4-methylmorpholin-3-yl)methanamine
• Synonyms: (4-Methylmorpholin-3-yl)methanamine

Database IDs

• CAS Number: 68431-71-0
• MDL Number: MFCD12197396
• PubChem SID: 180674449
• PubChem CID: 10396873

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9569526
• LogD (pH = 7.4): -2.6686933
• Log P: -0.76554775
• Molar Refractivity: 36.6826 cm^3
• Polarizability: 14.7968 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%