3-methoxy-3-methylazetidine hydrochloride

• ChemBase ID: 63293
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1NCC1(OC)C.Cl
• Canonical SMILES: COC1(C)CNC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-5(7-2)3-6-4-5;/h6H,3-4H2,1-2H3;1H
• InChIKey: LJJSYRRWFXODEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-3-methylazetidine hydrochloride
• IUPAC Traditional name: 3-methoxy-3-methylazetidine hydrochloride
• Synonyms: 3-Methoxy-3-methylazetidine hydrochloride

Database IDs

• CAS Number: 905843-93-8
• MDL Number: MFCD11100995
• PubChem SID: 162029032
• PubChem CID: 53346546

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0396202
• LogD (pH = 7.4): -1.4804724
• Log P: -0.071035184
• Molar Refractivity: 28.0763 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.616

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%