1-(2-methoxyethyl)-1-methylguanidine

• ChemBase ID: 236585
• Molecular Formular: C5H13N3O
• Molecular Mass: 131.17622
• Monoisotopic Mass: 131.10586205
• SMILES: C(=N)(N(CCOC)C)N
• Canonical SMILES: CN(C(=N)N)CCOC
• InChI: InChI=1S/C5H13N3O/c1-8(5(6)7)3-4-9-2/h3-4H2,1-2H3,(H3,6,7)
• InChIKey: ATFPWPQJUULRLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14664528
• PubChem SID: 164292495
• PubChem CID: 18681253

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

• Hydrophobicity(logP): -0.613

Product Information

• Purity: 95%