(2S)-2-methylmorpholine

• ChemBase ID: 67513
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: N1C[C@@H](OCC1)C
• Canonical SMILES: C[C@H]1CNCCO1
• InChI: InChI=1S/C5H11NO/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3/t5-/m0/s1
• InChIKey: LQMMFVPUIVBYII-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-methylmorpholine
• IUPAC Traditional name: (2S)-2-methylmorpholine
• Synonyms: (S)-2-Methylmorpholine

Database IDs

• CAS Number: 74572-13-7
• MDL Number: MFCD11506701
• PubChem SID: 162033248
• PubChem CID: 36689624

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8727734
• LogD (pH = 7.4): -1.2392805
• Log P: 0.0051961015
• Molar Refractivity: 28.1867 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%