nitrosodinonylamine

• ChemBase ID: 175451
• Molecular Formular: C18H38N2O
• Molecular Mass: 298.50712
• Monoisotopic Mass: 298.29841385
• SMILES: C(CCCCCCCN(CCCCCCCCC)N=O)C
• Canonical SMILES: CCCCCCCCCN(N=O)CCCCCCCCC
• InChI: InChI=1S/C18H38N2O/c1-3-5-7-9-11-13-15-17-20(19-21)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
• InChIKey: NSPXOAQLARIGFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nitrosodinonylamine
• IUPAC Traditional name: nitrosodinonylamine
• Synonyms: N-Nitroso-N-nonyl-1-nonanamine; N-Nitroso-N,N-dinonylamine

Database IDs

• CAS Number: 84424-96-4
• PubChem SID: 164231361
• PubChem CID: 53412427

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.131611
• LogD (pH = 7.4): 7.1320925
• Log P: 7.1320987
• Molar Refractivity: 93.8077 cm^3
• Polarizability: 36.36673 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - N525750

A stable product formed in the radiolysis of dinonylaniline in octane solutions containing nitrate.