(1-propylpyrrolidin-3-yl)methanol

• ChemBase ID: 307958
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(CC(CC1)CO)CCC
• Canonical SMILES: CCCN1CCC(C1)CO
• InChI: InChI=1S/C8H17NO/c1-2-4-9-5-3-8(6-9)7-10/h8,10H,2-7H2,1H3
• InChIKey: RJAJCQKKDKQAEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-propylpyrrolidin-3-yl)methanol
• IUPAC Traditional name: (1-propylpyrrolidin-3-yl)methanol
• Synonyms: (1-propyl-3-pyrrolidinyl)methanol

Database IDs

• CAS Number: 101256-95-5
• MDL Number: MFCD09752216

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.020008
• LogD (pH = 7.4): -2.158766
• Log P: 0.44514823
• Molar Refractivity: 43.1032 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2