(E)-2-(dimethylamino)-N'-hydroxyethenimidamide

• ChemBase ID: 258762
• Molecular Formular: C4H11N3O
• Molecular Mass: 117.14964
• Monoisotopic Mass: 117.09021199
• SMILES: C(=N\O)(\CN(C)C)/N
• Canonical SMILES: O/N=C(\CN(C)C)/N
• InChI: InChI=1S/C4H11N3O/c1-7(2)3-4(5)6-8/h8H,3H2,1-2H3,(H2,5,6)
• InChIKey: XTDHXKQOPRQCKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-2-(dimethylamino)-N'-hydroxyethenimidamide
• IUPAC Traditional name: (E)-2-(dimethylamino)-N'-hydroxyethenimidamide
• Synonyms: 2-(dimethylamino)-N'-hydroxyethanimidamide

Database IDs

• CAS Number: 67015-08-1
• MDL Number: MFCD05663028
• PubChem SID: 164314672
• PubChem CID: 5882707

CALCULATED PROPERTIES

• Acid pKa: 11.277174
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.053369
• LogD (pH = 7.4): -2.3286467
• Log P: -1.0721434
• Molar Refractivity: 31.8387 cm^3
• Polarizability: 12.199303 Å^3
• Polar Surface Area: 61.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): -0.446

Product Information

• Purity: 95%