2-N,2-N-dimethylquinoline-2,6-diamine

• ChemBase ID: 264528
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: n1c(N(C)C)ccc2c1ccc(c2)N
• Canonical SMILES: Nc1ccc2c(c1)ccc(n2)N(C)C
• InChI: InChI=1S/C11H13N3/c1-14(2)11-6-3-8-7-9(12)4-5-10(8)13-11/h3-7H,12H2,1-2H3
• InChIKey: GBQMOCHKQNPXAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethylquinoline-2,6-diamine
• IUPAC Traditional name: 2-N,2-N-dimethylquinoline-2,6-diamine
• Synonyms: 2-N,2-N-dimethylquinoline-2,6-diamine

Database IDs

• MDL Number: MFCD12173208
• PubChem SID: 164320438
• PubChem CID: 43450801

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1381141
• LogD (pH = 7.4): 1.9679564
• Log P: 2.0044758
• Molar Refractivity: 59.4218 cm^3
• Polarizability: 22.950256 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): 2.191

Product Information

• Purity: 95%