2-(methoxymethyl)pyrrolidine hydrochloride

• ChemBase ID: 234834
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: N1C(COC)CCC1.Cl
• Canonical SMILES: COCC1CCCN1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-8-5-6-3-2-4-7-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: QTMPYFZNWHQZAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)pyrrolidine hydrochloride
• IUPAC Traditional name: 2-(methoxymethyl)pyrrolidine hydrochloride
• Synonyms: 2-(methoxymethyl)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22056323
• PubChem SID: 164290744
• PubChem CID: 71755371

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0112984
• LogD (pH = 7.4): -2.732641
• Log P: 0.22571056
• Molar Refractivity: 32.9481 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 0.45

Product Information

• Purity: 95%