3-cyclopropylmorpholine

• ChemBase ID: 244334
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C1(CC1)C1NCCOC1
• Canonical SMILES: C1CNC(CO1)C1CC1
• InChI: InChI=1S/C7H13NO/c1-2-6(1)7-5-9-4-3-8-7/h6-8H,1-5H2
• InChIKey: KLFPQNHKRHERBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylmorpholine
• IUPAC Traditional name: 3-cyclopropylmorpholine
• Synonyms: 3-cyclopropylmorpholine

Database IDs

• CAS Number: 1260667-05-7
• MDL Number: MFCD18250298
• PubChem SID: 164300244
• PubChem CID: 53986558

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5129957
• LogD (pH = 7.4): -0.92830926
• 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%; 97%; 98%