N'-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboximidamide

• ChemBase ID: 249020
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C1(/C(=N/O)/N)c2c(CCC1)cccc2
• Canonical SMILES: O/N=C(/C1CCCc2c1cccc2)\N
• InChI: InChI=1S/C11H14N2O/c12-11(13-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10,14H,3,5,7H2,(H2,12,13)
• InChIKey: PRGYPKXHJHSTFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboximidamide
• IUPAC Traditional name: N'-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboximidamide
• Synonyms: N'-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboximidamide

Database IDs

• MDL Number: MFCD18302186
• PubChem SID: 164304930
• PubChem CID: 21447251

CALCULATED PROPERTIES

• Acid pKa: 11.376554
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7023829
• LogD (pH = 7.4): 1.9045411
• Log P: 1.9079484
• Molar Refractivity: 55.5461 cm^3
• Polarizability: 21.279995 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 2.33

Product Information

• Purity: 95%