1-N-ethyl-1-N-methylbenzene-1,2-diamine

• ChemBase ID: 273256
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1(N(CC)C)c(N)cccc1
• Canonical SMILES: CCN(c1ccccc1N)C
• InChI: InChI=1S/C9H14N2/c1-3-11(2)9-7-5-4-6-8(9)10/h4-7H,3,10H2,1-2H3
• InChIKey: KWMGUQRDALNQKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-ethyl-1-N-methylbenzene-1,2-diamine
• IUPAC Traditional name: 1-N-ethyl-1-N-methylbenzene-1,2-diamine
• Synonyms: 1-N-ethyl-1-N-methylbenzene-1,2-diamine

Database IDs

• MDL Number: MFCD11622759
• PubChem SID: 164329166
• PubChem CID: 43263137

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4880022
• LogD (pH = 7.4): 1.6074147
• Log P: 1.6091716
• Molar Refractivity: 49.9356 cm^3
• Polarizability: 18.151617 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.609

Product Information

• Purity: 95%