2-ethylquinoline-4,6-diamine

• ChemBase ID: 246654
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: c12c(nc(cc1N)CC)ccc(c2)N
• Canonical SMILES: CCc1cc(N)c2c(n1)ccc(c2)N
• InChI: InChI=1S/C11H13N3/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-6H,2,12H2,1H3,(H2,13,14)
• InChIKey: AISUEAAFEZCUCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylquinoline-4,6-diamine
• IUPAC Traditional name: 2-ethylquinoline-4,6-diamine
• Synonyms: 2-ethylquinoline-4,6-diamine

Database IDs

• MDL Number: MFCD13192505
• PubChem SID: 164302564
• PubChem CID: 10679144

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.49431488
• LogD (pH = 7.4): -0.04906137
• Log P: 1.3049545
• Molar Refractivity: 58.5985 cm^3
• Polarizability: 22.866344 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 2.178

Product Information

• Purity: 95%