(E)-N'-hydroxypropimidamide

• ChemBase ID: 259828
• Molecular Formular: C3H8N2O
• Molecular Mass: 88.10842
• Monoisotopic Mass: 88.06366289
• SMILES: C(=N\O)(/N)\CC
• Canonical SMILES: CC/C(=N\O)/N
• InChI: InChI=1S/C3H8N2O/c1-2-3(4)5-6/h6H,2H2,1H3,(H2,4,5)
• InChIKey: RLZPCFQNZGINRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxypropimidamide
• IUPAC Traditional name: (E)-N'-hydroxypropimidamide
• Synonyms: N'-hydroxypropanimidamide

Database IDs

• CAS Number: 29335-36-2
• MDL Number: MFCD03426272
• PubChem SID: 164315738
• PubChem CID: 6007839

CALCULATED PROPERTIES

• Acid pKa: 12.441137
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8988155
• LogD (pH = 7.4): -0.28114378
• Log P: -0.26310602
• Molar Refractivity: 23.0366 cm^3
• Polarizability: 8.840834 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.118

Product Information

• Purity: 95%