[(3S)-morpholin-3-yl]methanamine

• ChemBase ID: 801248
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(N)[C@H]1COCCN1
• Canonical SMILES: NC[C@H]1COCCN1
• InChI: InChI=1S/C5H12N2O/c6-3-5-4-8-2-1-7-5/h5,7H,1-4,6H2/t5-/m0/s1
• InChIKey: VLHGVSGPYXDAKS-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3S)-morpholin-3-yl]methanamine
• IUPAC Traditional name: (3S)-morpholin-3-ylmethanamine
• Synonyms: (S)-MORPHOLIN-3-YLMETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.776616
• LogD (pH = 7.4): -3.09215
• Log P: -1.1485957
• Molar Refractivity: 31.3879 cm^3
• Polarizability: 12.9564 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%