3-ethoxyazetidine hydrochloride

• ChemBase ID: 293268
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: CCOC1CNC1.Cl
• Canonical SMILES: CCOC1CNC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-2-7-5-3-6-4-5;/h5-6H,2-4H2,1H3;1H
• InChIKey: FZVFBLJKNJAJNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyazetidine hydrochloride
• IUPAC Traditional name: 3-ethoxyazetidine hydrochloride
• Synonyms: 3-Ethoxyazetidine hydrochloride; 3-ETHOXY-AZETIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 535924-73-3
• PubChem SID: 180678799
• PubChem CID: 22507732

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.950129
• LogD (pH = 7.4): -1.3778121
• Log P: 0.0051961015
• Molar Refractivity: 28.1867 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%