N-hydroxybutanimidamide

• ChemBase ID: 75972
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: N(C(=N)CCC)O
• Canonical SMILES: CCCC(=N)NO
• InChI: InChI=1S/C4H10N2O/c1-2-3-4(5)6-7/h7H,2-3H2,1H3,(H2,5,6)
• InChIKey: OPENCMFJZQABIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxybutanimidamide
• IUPAC Traditional name: N-hydroxybutanimidamide
• Synonyms: N-Hydroxybutanimidamide; N-Hydroxybutyramidine; Butyramidoxime; N-Hydroxybutanamidine 97%

Database IDs

• CAS Number: 27620-10-6
• MDL Number: MFCD05663152
• PubChem SID: 162040890
• PubChem CID: 9582833

CALCULATED PROPERTIES

• Acid pKa: 14.93543
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.059702
• LogD (pH = 7.4): -0.827674
• Log P: 0.24629597
• Molar Refractivity: 48.5453 cm^3
• Polarizability: 10.6000805 Å^3
• Polar Surface Area: 56.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 89°C/0.5mm

Safety Information

• Storage Warning: Harmful