(2-ethyl-1-methylpyrrolidin-2-yl)methanol

• ChemBase ID: 245844
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(C(CO)(CCC1)CC)C
• Canonical SMILES: CCC1(CO)CCCN1C
• InChI: InChI=1S/C8H17NO/c1-3-8(7-10)5-4-6-9(8)2/h10H,3-7H2,1-2H3
• InChIKey: ONCQZLDVYRIZII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethyl-1-methylpyrrolidin-2-yl)methanol
• IUPAC Traditional name: (2-ethyl-1-methylpyrrolidin-2-yl)methanol
• Synonyms: (2-ethyl-1-methylpyrrolidin-2-yl)methanol

Database IDs

• MDL Number: MFCD23144160
• PubChem SID: 164301754
• PubChem CID: 71757811

CALCULATED PROPERTIES

• Acid pKa: 14.771795
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7053711
• LogD (pH = 7.4): -1.9442462
• Log P: 0.76873106
• Molar Refractivity: 42.6538 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.154

Product Information

• Purity: 95%