N-ethyl-N-nitrosoaniline

• ChemBase ID: 175454
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(N(CC)N=O)ccccc1
• Canonical SMILES: CCN(c1ccccc1)N=O
• InChI: InChI=1S/C8H10N2O/c1-2-10(9-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
• InChIKey: WXRXVZXYLBWKRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-nitrosoaniline
• IUPAC Traditional name: aniline, N-ethyl-N-nitroso-
• Synonyms: N-Ethyl-N-nitrosoaniline; N-Nitrosoethylphenylamine; N-Ethyl-N-nitroso-benzenamine; NSC 405070; N-Nitroso-N-ethylaniline

Database IDs

• CAS Number: 612-64-6
• PubChem SID: 164231364
• PubChem CID: 11929

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0533803
• LogD (pH = 7.4): 2.0533803
• Log P: 2.0533803
• Molar Refractivity: 44.5767 cm^3
• Polarizability: 16.168217 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Benzene; Chloroform
• Apperance: Yellow Oil
• Boiling Point: 86°C/ 1 mm

Safety Information

• Storage Condition: Refrigerator