(4-methylmorpholin-2-yl)methanamine

• ChemBase ID: 265793
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: N1(CC(OCC1)CN)C
• Canonical SMILES: CN1CC(CN)OCC1
• InChI: InChI=1S/C6H14N2O/c1-8-2-3-9-6(4-7)5-8/h6H,2-5,7H2,1H3
• InChIKey: SOBFKNVNVLNAJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylmorpholin-2-yl)methanamine
• IUPAC Traditional name: (4-methylmorpholin-2-yl)methanamine
• Synonyms: (4-methylmorpholin-2-yl)methanamine; 1-(4-methyl-2-morpholinyl)methanamine

Database IDs

• CAS Number: 141814-57-5
• MDL Number: MFCD03990582
• PubChem SID: 164321703
• PubChem CID: 3922133

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.790158
• LogD (pH = 7.4): -2.8280454
• 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

Physical Property

• Hydrophobicity(logP): -0.444

Product Information

• Purity: 95%; 95+%; 98%