1-(2-methoxyethyl)-1-methylguanidine hydrochloride

• ChemBase ID: 243103
• Molecular Formular: C5H14ClN3O
• Molecular Mass: 167.63716
• Monoisotopic Mass: 167.08253976
• SMILES: C(=N)(N(CCOC)C)N.Cl
• Canonical SMILES: CN(C(=N)N)CCOC.Cl
• InChI: InChI=1S/C5H13N3O.ClH/c1-8(5(6)7)3-4-9-2;/h3-4H2,1-2H3,(H3,6,7);1H
• InChIKey: QNNKCUGMVZVVBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-1-methylguanidine hydrochloride
• IUPAC Traditional name: 1-(2-methoxyethyl)-1-methylguanidine hydrochloride
• Synonyms: 1-(2-methoxyethyl)-1-methylguanidine hydrochloride

Database IDs

• MDL Number: MFCD22578592
• PubChem SID: 164299013
• PubChem CID: 71757167

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1596766
• LogD (pH = 7.4): -3.1587849
• Log P: -0.7442291
• Molar Refractivity: 46.9716 cm^3
• Polarizability: 13.655538 Å^3
• Polar Surface Area: 62.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): -0.613

Product Information

• Purity: 95%