3-(2-methylpropoxy)pyrrolidine hydrochloride

• ChemBase ID: 237906
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: N1CCC(OCC(C)C)C1.Cl
• Canonical SMILES: CC(COC1CNCC1)C.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-7(2)6-10-8-3-4-9-5-8;/h7-9H,3-6H2,1-2H3;1H
• InChIKey: MFVXGCMGRGHRSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpropoxy)pyrrolidine hydrochloride
• IUPAC Traditional name: 3-(2-methylpropoxy)pyrrolidine hydrochloride
• Synonyms: 3-(2-methylpropoxy)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22375301
• PubChem SID: 164293816
• PubChem CID: 71756041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2815192
• LogD (pH = 7.4): -1.9005809
• Log P: 0.9526511
• Molar Refractivity: 42.0477 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.148

Product Information

• Purity: 95%