4-butylmorpholine

• ChemBase ID: 287403
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: CCCCN1CCOCC1
• Canonical SMILES: CCCCN1CCOCC1
• InChI: InChI=1S/C8H17NO/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3
• InChIKey: LMRKVKPRHROQRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-butylmorpholine
• IUPAC Traditional name: morpholine, 4-butyl-
• Synonyms: 4-Butylmorpholine; 4-Butyl-Morpholine

Database IDs

• CAS Number: 1005-67-0
• MDL Number: MFCD00023401
• PubChem SID: 180672934
• PubChem CID: 70499

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.204997
• LogD (pH = 7.4): 0.5626337
• Log P: 1.295568
• Molar Refractivity: 42.9362 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Product Information

• Purity: 95+%; 97%