4-(morpholin-4-yl)butan-1-ol

• ChemBase ID: 21860
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1(CCCCO)CCOCC1
• Canonical SMILES: OCCCCN1CCOCC1
• InChI: InChI=1S/C8H17NO2/c10-6-2-1-3-9-4-7-11-8-5-9/h10H,1-8H2
• InChIKey: URFFPMJFOHTCLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)butan-1-ol
• IUPAC Traditional name: 4-(morpholin-4-yl)butan-1-ol
• Synonyms: 4-morpholin-4-ylbutan-1-ol; 4-Morpholin-4-ylbutan-1-ol; 4-(4-Morpholinyl)-1-butanol

Database IDs

• CAS Number: 5835-79-0
• MDL Number: MFCD03211280
• PubChem SID: 160985167
• PubChem CID: 16641259

CALCULATED PROPERTIES

• Acid pKa: 15.972566
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0848665
• LogD (pH = 7.4): -0.4682246
• Log P: -0.14111058
• Molar Refractivity: 44.8649 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H17NO2

DETAILS

Sigma Aldrich - CBR00213

Other Notes
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Legal Information
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