O-(2-aminoethyl)hydroxylamine

• ChemBase ID: 160126
• Molecular Formular: C2H8N2O
• Molecular Mass: 76.09772
• Monoisotopic Mass: 76.06366289
• SMILES: NOCCN
• Canonical SMILES: NCCON
• InChI: InChI=1S/C2H8N2O/c3-1-2-5-4/h1-4H2
• InChIKey: MECRKILGNPUEFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(2-aminoethyl)hydroxylamine
• IUPAC Traditional name: O-(2-aminoethyl)hydroxylamine
• Synonyms: O-(2-Aminoethyl)hydroxylamine Dihydrochloride; 2-(Aminooxy)ethylamine Dihydrochloride; 2-(Aminooxy)-ethanamine Dihydrochloride; 2-Aminoethoxyamine Dihydrochloride

Database IDs

• CAS Number: 37866-45-8
• PubChem SID: 162254261
• PubChem CID: 462074

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.1378455
• LogD (pH = 7.4): -3.1110063
• Log P: -1.1595194
• Molar Refractivity: 20.2808 cm^3
• Polarizability: 8.166438 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dimethyl Sulfoxide; Methanol; Water
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - A609020

Used in the preparation of istaroxime analogs.