(1-propylpyrrolidin-2-yl)methanol

• ChemBase ID: 244741
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(C(CO)CCC1)CCC
• Canonical SMILES: CCCN1CCCC1CO
• InChI: InChI=1S/C8H17NO/c1-2-5-9-6-3-4-8(9)7-10/h8,10H,2-7H2,1H3
• InChIKey: GDIQPZRESMPKNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16163491
• PubChem SID: 164300651
• PubChem CID: 23383549

CALCULATED PROPERTIES

• Acid pKa: 15.112796
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6276054
• LogD (pH = 7.4): -1.8474172
• Log P: 0.84496236
• Molar Refractivity: 42.7642 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.295

Product Information

• Purity: 95%