3-methoxypyrrolidine hydrochloride

• ChemBase ID: 294410
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: COC1CNCC1.Cl
• Canonical SMILES: COC1CNCC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-7-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H
• InChIKey: SQMYKVUSWPIFEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypyrrolidine hydrochloride
• IUPAC Traditional name: 3-methoxypyrrolidine hydrochloride
• Synonyms: 3-Methoxypyrrolidine hydrochloride

Database IDs

• CAS Number: 136725-50-3
• MDL Number: MFCD09261403
• PubChem SID: 180679941
• PubChem CID: 22017630

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5258338
• LogD (pH = 7.4): -3.1452615
• Log P: -0.2916521
• Molar Refractivity: 28.3035 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%