4-[ethyl(methyl)amino]-N'-hydroxybenzene-1-carboximidamide

• ChemBase ID: 238834
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=N\O)(/c1ccc(N(CC)C)cc1)\N
• Canonical SMILES: CCN(c1ccc(cc1)/C(=N/O)/N)C
• InChI: InChI=1S/C10H15N3O/c1-3-13(2)9-6-4-8(5-7-9)10(11)12-14/h4-7,14H,3H2,1-2H3,(H2,11,12)
• InChIKey: MAXZBKHCPSTDTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[ethyl(methyl)amino]-N'-hydroxybenzene-1-carboximidamide
• IUPAC Traditional name: 4-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
• Synonyms: 4-[ethyl(methyl)amino]-N'-hydroxybenzene-1-carboximidamide

Database IDs

• MDL Number: MFCD11622983
• PubChem SID: 164294744
• PubChem CID: 43263444

CALCULATED PROPERTIES

• Acid pKa: 10.925731
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.706515
• LogD (pH = 7.4): 1.3363304
• Log P: 1.3553843
• Molar Refractivity: 58.2574 cm^3
• Polarizability: 21.370249 Å^3
• Polar Surface Area: 61.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.718

Product Information

• Purity: 95%