3-ethoxypyrrolidine hydrochloride

• ChemBase ID: 21014
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C1C(CNC1)OCC.Cl
• Canonical SMILES: CCOC1CNCC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-2-8-6-3-4-7-5-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: VHSSBFJFGPYMNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxypyrrolidine hydrochloride
• IUPAC Traditional name: 3-ethoxypyrrolidine hydrochloride
• Synonyms: 3-Ethoxypyrrolidine hydrochloride

Database IDs

• CAS Number: 1185299-15-3
• MDL Number: MFCD09879229
• PubChem SID: 160984321
• PubChem CID: 23369021

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1690147
• LogD (pH = 7.4): -2.788088
• Log P: 0.06515584
• Molar Refractivity: 33.0521 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false