2-propylmorpholine

• ChemBase ID: 244204
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CC(OCC1)CCC
• Canonical SMILES: CCCC1CNCCO1
• InChI: InChI=1S/C7H15NO/c1-2-3-7-6-8-4-5-9-7/h7-8H,2-6H2,1H3
• InChIKey: QGJFIIKVYPIQAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propylmorpholine
• IUPAC Traditional name: 2-propylmorpholine
• Synonyms: 2-propylmorpholine

Database IDs

• CAS Number: 89855-03-8
• MDL Number: MFCD14582708
• PubChem SID: 164300114
• PubChem CID: 20205646

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9023376
• LogD (pH = 7.4): -0.26669785
• 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

Physical Property

• Hydrophobicity(logP): 1.169

Product Information

• Purity: 95%; 98%