2-(propan-2-yl)morpholine

• ChemBase ID: 247753
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CC(OCC1)C(C)C
• Canonical SMILES: CC(C1OCCNC1)C
• InChI: InChI=1S/C7H15NO/c1-6(2)7-5-8-3-4-9-7/h6-8H,3-5H2,1-2H3
• InChIKey: DNBOOEPFXFVICE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)morpholine
• IUPAC Traditional name: 2-isopropylmorpholine
• Synonyms: 2-(propan-2-yl)morpholine; 2-isopropylmorpholine

Database IDs

• CAS Number: 89855-02-7
• MDL Number: MFCD14582705
• PubChem SID: 164303663
• PubChem CID: 19877688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.986937
• LogD (pH = 7.4): -0.35452187
• Log P: 0.8926913
• Molar Refractivity: 37.1823 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.039

Product Information

• Purity: 95%; 98%