2-(2,2-dimethylmorpholin-4-yl)-N'-hydroxyethanimidamide

• ChemBase ID: 274202
• Molecular Formular: C8H17N3O2
• Molecular Mass: 187.23948
• Monoisotopic Mass: 187.1320768
• SMILES: N1(C/C(=N/O)/N)CC(OCC1)(C)C
• Canonical SMILES: O/N=C(/CN1CCOC(C1)(C)C)\N
• InChI: InChI=1S/C8H17N3O2/c1-8(2)6-11(3-4-13-8)5-7(9)10-12/h12H,3-6H2,1-2H3,(H2,9,10)
• InChIKey: GYQHMOODIBYUAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-dimethylmorpholin-4-yl)-N'-hydroxyethanimidamide
• IUPAC Traditional name: 2-(2,2-dimethylmorpholin-4-yl)-N'-hydroxyethanimidamide
• Synonyms: 2-(2,2-dimethylmorpholin-4-yl)-N'-hydroxyethanimidamide

Database IDs

• MDL Number: MFCD12080835
• PubChem SID: 164330112
• PubChem CID: 43592863

CALCULATED PROPERTIES

• Acid pKa: 11.013426
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.572056
• LogD (pH = 7.4): -0.9393223
• Log P: -0.59349215
• Molar Refractivity: 49.9702 cm^3
• Polarizability: 19.538315 Å^3
• Polar Surface Area: 71.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): 0.622

Product Information

• Purity: 95%