1-methylazetidin-3-ol hydrochloride

• ChemBase ID: 63134
• Molecular Formular: C4H10ClNO
• Molecular Mass: 123.5813
• Monoisotopic Mass: 123.04509163
• SMILES: Cl.C1C(CN1C)O
• Canonical SMILES: OC1CN(C1)C.Cl
• InChI: InChI=1S/C4H9NO.ClH/c1-5-2-4(6)3-5;/h4,6H,2-3H2,1H3;1H
• InChIKey: GYTMWEWMNIDGQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylazetidin-3-ol hydrochloride
• IUPAC Traditional name: 1-methylazetidin-3-ol hydrochloride
• Synonyms: 3-Hydroxy-1-methylazetidine hydrochloride

Database IDs

• CAS Number: 111043-48-2
• MDL Number: MFCD16605978
• PubChem SID: 162028873
• PubChem CID: 57149531

CALCULATED PROPERTIES

• Log P: -0.6116904
• Molar Refractivity: 23.9816 cm^3
• Polarizability: 9.517664 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 14.794964
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.389747
• LogD (pH = 7.4): -0.8563389

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%