3-propoxyazetidine hydrochloride

• ChemBase ID: 810401
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: Cl.C1(CNC1)OCCC
• Canonical SMILES: CCCOC1CNC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-2-3-8-6-4-7-5-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: FWEILSWQALGJKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-propoxyazetidine hydrochloride
• IUPAC Traditional name: 3-propoxyazetidine hydrochloride
• Synonyms: 3-PROPOXY-AZETIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 897019-55-5

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.85527074
• Log P: 0.5277185
• Molar Refractivity: 32.7107 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.427597

PROPERTIES

Product Information

• Purity: 98%