N,N-diethyl-3-methoxy-4-nitrosoaniline

• ChemBase ID: 87435
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: N(=O)c1ccc(cc1OC)N(CC)CC
• Canonical SMILES: CCN(c1ccc(c(c1)OC)N=O)CC
• InChI: InChI=1S/C11H16N2O2/c1-4-13(5-2)9-6-7-10(12-14)11(8-9)15-3/h6-8H,4-5H2,1-3H3
• InChIKey: YFLMEXHABQOPKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-3-methoxy-4-nitrosoaniline
• IUPAC Traditional name: N,N-diethyl-3-methoxy-4-nitrosoaniline
• Synonyms: N,N-Diethyl-3-methoxy-4-nitrosoaniline

Database IDs

• PubChem SID: 162104530
• PubChem CID: 14549296

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7142262
• LogD (pH = 7.4): 2.7149334
• Log P: 2.7149425
• Molar Refractivity: 62.0204 cm^3
• Polarizability: 22.360102 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Toxic