(1-ethylpyrrolidin-2-yl)methanol

• ChemBase ID: 58975
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1(C(CO)CCC1)CC
• Canonical SMILES: OCC1CCCN1CC
• InChI: InChI=1S/C7H15NO/c1-2-8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3
• InChIKey: GHQCZUMSSZNLJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylpyrrolidin-2-yl)methanol
• IUPAC Traditional name: (1-ethylpyrrolidin-2-yl)methanol
• Synonyms: (1-Ethylpyrrolidin-2-yl)methanol

Database IDs

• CAS Number: 3433-34-9
• MDL Number: MFCD00020856
• PubChem SID: 162063738
• PubChem CID: 259087

CALCULATED PROPERTIES

• Acid pKa: 15.11275
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.131333
• LogD (pH = 7.4): -2.1712503
• Log P: 0.32243994
• Molar Refractivity: 38.2402 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false