3-propylmorpholine

• ChemBase ID: 143693
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: CCCC1COCCN1
• Canonical SMILES: CCCC1COCCN1
• InChI: InChI=1S/C7H15NO/c1-2-3-7-6-9-5-4-8-7/h7-8H,2-6H2,1H3
• InChIKey: ACDQSRFDVDVZRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-propylmorpholine
• IUPAC Traditional name: 3-propylmorpholine
• Synonyms: 3-Propylmorpholine; 3-propylmorpholine

Database IDs

• CAS Number: 19856-81-6
• MDL Number: MFCD09864407
• PubChem SID: 162237910
• PubChem CID: 20339046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9534107
• LogD (pH = 7.4): -0.35478497
• Log P: 0.9722872
• Molar Refractivity: 37.3117 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C7H15NO

DETAILS

Sigma Aldrich - CBR00294

Other Notes
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Legal Information
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