bis(diethylamine); bis(oxidanimine)

• ChemBase ID: 105646
• Molecular Formular: C8H24N4O2
• Molecular Mass: 208.30176
• Monoisotopic Mass: 208.18992603
• SMILES: CCNCC.CCNCC.N=O.N=O
• Canonical SMILES: CCNCC.CCNCC.O=N.O=N
• InChI: InChI=1S/2C4H11N.2HNO/c2*1-3-5-4-2;2*1-2/h2*5H,3-4H2,1-2H3;2*1H
• InChIKey: QSESATVRMXMJMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(diethylamine); bis(oxidanimine)
• IUPAC Traditional name: bis(diethylamine); bis(nitrogen oxide)
• Synonyms: DIETHYLAMINE bis(NITRIC OXIDE) ADDUCT

Database IDs

• CAS Number: 56329-27-2
• PubChem SID: 162092371
• PubChem CID: 44134675

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7150512
• LogD (pH = 7.4): -2.3893538
• Log P: 0.5207374
• Molar Refractivity: 24.1906 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02193644

Releases Nitric Oxide (NO) into aqueous solutions.