3-(3-methylmorpholin-4-yl)propan-1-ol

• ChemBase ID: 247774
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1(C(COCC1)C)CCCO
• Canonical SMILES: OCCCN1CCOCC1C
• InChI: InChI=1S/C8H17NO2/c1-8-7-11-6-4-9(8)3-2-5-10/h8,10H,2-7H2,1H3
• InChIKey: RHJNQHGVPMDJCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methylmorpholin-4-yl)propan-1-ol
• IUPAC Traditional name: 3-(3-methylmorpholin-4-yl)propan-1-ol
• Synonyms: 3-(3-methylmorpholin-4-yl)propan-1-ol

Database IDs

• MDL Number: MFCD12134442
• PubChem SID: 164303684
• PubChem CID: 43542480

CALCULATED PROPERTIES

• Acid pKa: 15.933354
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4204433
• LogD (pH = 7.4): -0.71594256
• Log P: -0.24189824
• Molar Refractivity: 44.6391 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.239

Product Information

• Purity: 95%