(Z)-4-amino-N'-hydroxy-1-methyl-2-oxo-1-azaspiro[4.4]nona-3-ene-3-carboximidamide

• ChemBase ID: 250438
• Molecular Formular: C10H16N4O2
• Molecular Mass: 224.25964
• Monoisotopic Mass: 224.12732577
• SMILES: C1(=C(C2(N(C1=O)C)CCCC2)N)/C(=N/O)/N
• Canonical SMILES: O/N=C(/C1=C(N)C2(N(C1=O)C)CCCC2)\N
• InChI: InChI=1S/C10H16N4O2/c1-14-9(15)6(8(12)13-16)7(11)10(14)4-2-3-5-10/h16H,2-5,11H2,1H3,(H2,12,13)
• InChIKey: PNRJYQYPAUETRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-4-amino-N'-hydroxy-1-methyl-2-oxo-1-azaspiro[4.4]nona-3-ene-3-carboximidamide
• IUPAC Traditional name: (Z)-4-amino-N'-hydroxy-1-methyl-2-oxo-1-azaspiro[4.4]nona-3-ene-3-carboximidamide
• Synonyms: 4-amino-N'-hydroxy-1-methyl-2-oxo-1-azaspiro[4.4]non-3-ene-3-carboximidamide

Database IDs

• MDL Number: MFCD07346334
• PubChem SID: 164306348
• PubChem CID: 16226766

CALCULATED PROPERTIES

• Acid pKa: 10.380989
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.3854841
• LogD (pH = 7.4): -1.3852732
• Log P: -1.3848126
• Molar Refractivity: 59.7868 cm^3
• Polarizability: 22.408707 Å^3
• Polar Surface Area: 104.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212°C
• Hydrophobicity(logP): -1.43

Product Information

• Purity: 95%