N'-hydroxycycloheptanecarboximidamide

• ChemBase ID: 241500
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=N\O)(/C1CCCCCC1)\N
• Canonical SMILES: O/N=C(/C1CCCCCC1)\N
• InChI: InChI=1S/C8H16N2O/c9-8(10-11)7-5-3-1-2-4-6-7/h7,11H,1-6H2,(H2,9,10)
• InChIKey: SRMWOIMUMQVLNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxycycloheptanecarboximidamide
• IUPAC Traditional name: N'-hydroxycycloheptanecarboximidamide
• Synonyms: N'-hydroxycycloheptanecarboximidamide

Database IDs

• MDL Number: MFCD21197488
• PubChem SID: 164297410
• PubChem CID: 14801677

CALCULATED PROPERTIES

• Acid pKa: 12.127697
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0640042
• LogD (pH = 7.4): 1.5813853
• Log P: 1.594429
• Molar Refractivity: 44.2129 cm^3
• Polarizability: 17.292814 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 2.179

Product Information

• Purity: 95%