O-(2-aminoethyl)hydroxylamine dihydrochloride

• ChemBase ID: 41056
• Molecular Formular: C2H10Cl2N2O
• Molecular Mass: 149.0196
• Monoisotopic Mass: 148.01701831
• SMILES: NOCCN.Cl.Cl
• Canonical SMILES: NCCON.Cl.Cl
• InChI: InChI=1S/C2H8N2O.2ClH/c3-1-2-5-4;;/h1-4H2;2*1H
• InChIKey: VAWHTWXBNQFBAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(2-aminoethyl)hydroxylamine dihydrochloride
• IUPAC Traditional name: O-(2-aminoethyl)hydroxylamine dihydrochloride
• Synonyms: 2-(Aminooxy)ethanamine dihydrochloride; 2-(Aminooxy)-1-ethanamine dihydrochloride

Database IDs

• CAS Number: 37866-45-8
• MDL Number: MFCD04117898
• PubChem SID: 162045819
• PubChem CID: 14362326

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

• Melting Point: 205 - 207 °C; 205-207°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 97%