1-N-ethyl-1-N-methylbenzene-1,3-diamine

• ChemBase ID: 266476
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1(cc(N)ccc1)N(CC)C
• Canonical SMILES: CCN(c1cccc(c1)N)C
• InChI: InChI=1S/C9H14N2/c1-3-11(2)9-6-4-5-8(10)7-9/h4-7H,3,10H2,1-2H3
• InChIKey: IQJLENCEZNJXRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-ethyl-1-N-methylbenzene-1,3-diamine
• IUPAC Traditional name: 1-N-ethyl-1-N-methylbenzene-1,3-diamine
• Synonyms: 1-N-ethyl-1-N-methylbenzene-1,3-diamine

Database IDs

• MDL Number: MFCD11622746
• PubChem SID: 164322386
• PubChem CID: 43263124

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2040184
• LogD (pH = 7.4): 1.6007988
• Log P: 1.6091716
• Molar Refractivity: 49.9356 cm^3
• Polarizability: 18.151463 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%