4-cycloheptylmorpholine

• ChemBase ID: 33471
• Molecular Formular: C11H21NO
• Molecular Mass: 183.29054
• Monoisotopic Mass: 183.1623143
• SMILES: N1(C2CCCCCC2)CCOCC1
• Canonical SMILES: C1CCCC(CC1)N1CCOCC1
• InChI: InChI=1S/C11H21NO/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h11H,1-10H2
• InChIKey: OANBWYYAUQHQFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cycloheptylmorpholine
• IUPAC Traditional name: 4-cycloheptylmorpholine
• Synonyms: 4-Cycloheptylmorpholine

Database IDs

• CAS Number: 39198-79-3
• MDL Number: MFCD12026814
• PubChem SID: 160996778
• PubChem CID: 13816600

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7678931
• LogD (pH = 7.4): 0.95361704
• Log P: 2.2155082
• Molar Refractivity: 54.6778 cm^3
• Polarizability: 21.75466 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false