2-cyclopropylmorpholine

• ChemBase ID: 282159
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C1(CC1)C1OCCNC1
• Canonical SMILES: C1COC(CN1)C1CC1
• InChI: InChI=1S/C7H13NO/c1-2-6(1)7-5-8-3-4-9-7/h6-8H,1-5H2
• InChIKey: VOJNVOZYKCIITR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylmorpholine
• IUPAC Traditional name: 2-cyclopropylmorpholine
• Synonyms: 2-cyclopropylmorpholine

Database IDs

• CAS Number: 1063734-79-1
• MDL Number: MFCD17167254
• PubChem SID: 180667690
• PubChem CID: 50986269

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4501665
• LogD (pH = 7.4): -0.8174278
• Log P: 0.42896542
• Molar Refractivity: 35.3801 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.465

Product Information

• Purity: 95%; 98%