4-methoxynaphthalene-1-carboximidamide

• ChemBase ID: 812889
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1cc2c(cc1)c(ccc2C(=N)N)OC
• Canonical SMILES: COc1ccc(c2c1cccc2)C(=N)N
• InChI: InChI=1S/C12H12N2O/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H3,13,14)
• InChIKey: UHHWXSJEONXKQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxynaphthalene-1-carboximidamide
• IUPAC Traditional name: 4-methoxynaphthalene-1-carboximidamide
• Synonyms: 4-METHOXY-NAPHTHALENE-1-CARBOXAMIDINE

Database IDs

• CAS Number: 885270-10-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.68987757
• LogD (pH = 7.4): -0.68508667
• Log P: 1.7255198
• Molar Refractivity: 70.6439 cm^3
• Polarizability: 24.091633 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%