3-(cyclobutylmethoxy)pyrrolidine hydrochloride

• ChemBase ID: 47429
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• SMILES: N1CCC(OCC2CCC2)C1.Cl
• Canonical SMILES: C1CC(C1)COC1CCNC1.Cl
• InChI: InChI=1S/C9H17NO.ClH/c1-2-8(3-1)7-11-9-4-5-10-6-9;/h8-10H,1-7H2;1H
• InChIKey: UUALCBGTONVMMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclobutylmethoxy)pyrrolidine hydrochloride
• IUPAC Traditional name: 3-(cyclobutylmethoxy)pyrrolidine hydrochloride
• Synonyms: 3-(Cyclobutylmethoxy)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD13561287
• PubChem SID: 162052192
• PubChem CID: 53409349

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3006763
• LogD (pH = 7.4): -1.919738
• Log P: 0.93349385
• Molar Refractivity: 44.8465 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false