6-(aminomethyl)-4-methylmorpholin-3-one

• ChemBase ID: 310153
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: N1(C(=O)COC(C1)CN)C
• Canonical SMILES: CN1CC(CN)OCC1=O
• InChI: InChI=1S/C6H12N2O2/c1-8-3-5(2-7)10-4-6(8)9/h5H,2-4,7H2,1H3
• InChIKey: YFDRAVVFENWUHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)-4-methylmorpholin-3-one
• IUPAC Traditional name: 6-(aminomethyl)-4-methylmorpholin-3-one
• Synonyms: 6-(aminomethyl)-4-methyl-3-morpholinone

Database IDs

• CAS Number: 956722-56-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.5819063
• LogD (pH = 7.4): -3.3006053
• Log P: -1.6657994
• Molar Refractivity: 36.3637 cm^3
• Polarizability: 14.520407 Å^3
• Polar Surface Area: 55.56 Å^2