3-(ethoxymethyl)pyrrolidine hydrochloride

• ChemBase ID: 21166
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: N1CC(COCC)CC1.Cl
• Canonical SMILES: CCOCC1CNCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-2-9-6-7-3-4-8-5-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: VIEPSXNECYYLEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(ethoxymethyl)pyrrolidine hydrochloride
• IUPAC Traditional name: 3-(ethoxymethyl)pyrrolidine hydrochloride
• Synonyms: 3-(Ethoxymethyl)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD09997927
• PubChem SID: 160984473
• PubChem CID: 46735759

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0577736
• LogD (pH = 7.4): -2.951164
• Log P: 0.18270439
• Molar Refractivity: 38.0357 cm^3
• Polarizability: 15.112169 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