4-cyclohexylmorpholine

• ChemBase ID: 112472
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: C1CCC(CC1)N1CCOCC1
• Canonical SMILES: C1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C10H19NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10H,1-9H2
• InChIKey: BRKHZWFIIVVNTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexylmorpholine
• IUPAC Traditional name: morpholine, 4-cyclohexyl-
• Synonyms: N-CYCLOHEXYL MORPHOLINE

Database IDs

• CAS Number: 6425-41-8
• PubChem SID: 162097339
• PubChem CID: 22938

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.1067963
• LogD (pH = 7.4): 0.6439529
• Log P: 1.7709396
• Molar Refractivity: 50.0768 cm^3
• Polarizability: 19.910645 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224194

MP Biomedicals Rare Chemical collection