1-(2-methoxyethyl)guanidine

• ChemBase ID: 307617
• Molecular Formular: C4H11N3O
• Molecular Mass: 117.14964
• Monoisotopic Mass: 117.09021199
• SMILES: C(=N)(NCCOC)N
• Canonical SMILES: COCCNC(=N)N
• InChI: InChI=1S/C4H11N3O/c1-8-3-2-7-4(5)6/h2-3H2,1H3,(H4,5,6,7)
• InChIKey: XNPSFFSMEXSPKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 108712-07-8
• MDL Number: MFCD11505279

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.4216466
• LogD (pH = 7.4): -3.4202902
• Log P: -1.0062051
• Molar Refractivity: 41.6769 cm^3
• Polarizability: 11.826721 Å^3
• Polar Surface Area: 71.13 Å^2