bis(bis(propan-2-yl)amine); bis(oxidanimine)

• ChemBase ID: 105659
• Molecular Formular: C12H32N4O2
• Molecular Mass: 264.40808
• Monoisotopic Mass: 264.25252628
• SMILES: CC(C)NC(C)C.CC(C)NC(C)C.N=O.N=O
• Canonical SMILES: CC(NC(C)C)C.CC(NC(C)C)C.O=N.O=N
• InChI: InChI=1S/2C6H15N.2HNO/c2*1-5(2)7-6(3)4;2*1-2/h2*5-7H,1-4H3;2*1H
• InChIKey: TUGCHNLNGIISFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(bis(propan-2-yl)amine); bis(oxidanimine)
• IUPAC Traditional name: bis(diisopropylamine); bis(nitrogen oxide)
• Synonyms: ISOPROPYLAMINE bis(NITRIC OXIDE) ADDUCT

Database IDs

• PubChem SID: 162105888
• PubChem CID: 44134786

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8835524
• LogD (pH = 7.4): -1.6228405
• Log P: 1.3538874
• Molar Refractivity: 33.0282 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 02193675

Releases Nitric Oxide (NO) into aqueous solutions.