[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol

• ChemBase ID: 237314
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1(C(CO)CCC1)CCOC
• Canonical SMILES: COCCN1CCCC1CO
• InChI: InChI=1S/C8H17NO2/c1-11-6-5-9-4-2-3-8(9)7-10/h8,10H,2-7H2,1H3
• InChIKey: CTJVNFHTNRUVII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
• IUPAC Traditional name: [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
• Synonyms: [1-(2-methoxyethyl)pyrrolidin-2-yl]methanol

Database IDs

• MDL Number: MFCD16163488
• PubChem SID: 164293224
• PubChem CID: 57595829

CALCULATED PROPERTIES

• Acid pKa: 15.112535
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.417162
• LogD (pH = 7.4): -2.009314
• Log P: -0.08134352
• Molar Refractivity: 44.5351 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.42

Product Information

• Purity: 95%