3-(methoxymethyl)azetidine hydrochloride

• ChemBase ID: 64034
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: Cl.C1NCC1COC
• Canonical SMILES: COCC1CNC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-7-4-5-2-6-3-5;/h5-6H,2-4H2,1H3;1H
• InChIKey: PPXSXGZXOLBWJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethyl)azetidine hydrochloride
• IUPAC Traditional name: 3-(methoxymethyl)azetidine hydrochloride
• Synonyms: 3-(Methoxymethyl)azetidine hydrochloride

Database IDs

• CAS Number: 942308-06-7
• MDL Number: MFCD09743447
• PubChem SID: 162029773
• PubChem CID: 44828795

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5885234
• LogD (pH = 7.4): -3.1149855
• Log P: -0.3575931
• Molar Refractivity: 28.3253 cm^3
• Polarizability: 11.428371 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

Product Information

• Purity: >95%; 95+%; 98%