8-N,8-N-dimethylquinoline-5,8-diamine

• ChemBase ID: 308578
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: c12c(ccc(c1cccn2)N)N(C)C
• Canonical SMILES: CN(c1ccc(c2c1nccc2)N)C
• InChI: InChI=1S/C11H13N3/c1-14(2)10-6-5-9(12)8-4-3-7-13-11(8)10/h3-7H,12H2,1-2H3
• InChIKey: WXSNKYOYSOHGJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-N,8-N-dimethylquinoline-5,8-diamine
• IUPAC Traditional name: 8-N,8-N-dimethylquinoline-5,8-diamine
• Synonyms: N~8~,N~8~-dimethyl-5,8-quinolinediamine

Database IDs

• CAS Number: 1033693-20-7
• MDL Number: MFCD10686637

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3209932
• LogD (pH = 7.4): 1.4087675
• Log P: 1.4100183
• Molar Refractivity: 59.1083 cm^3
• Polarizability: 22.956476 Å^3
• Polar Surface Area: 42.15 Å^2