N,N-dimethylquinolin-6-amine; sulfuric acid

• ChemBase ID: 120477
• Molecular Formular: C11H14N2O4S
• Molecular Mass: 270.30486
• Monoisotopic Mass: 270.06742794
• SMILES: S(=O)(=O)(O)O.c1(cc2c(nccc2)cc1)N(C)C
• Canonical SMILES: OS(=O)(=O)O.CN(c1ccc2c(c1)cccn2)C
• InChI: InChI=1S/C11H12N2.H2O4S/c1-13(2)10-5-6-11-9(8-10)4-3-7-12-11;1-5(2,3)4/h3-8H,1-2H3;(H2,1,2,3,4)
• InChIKey: FLEKTQRBZBVQRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylquinolin-6-amine; sulfuric acid
• IUPAC Traditional name: N,N-dimethylquinolin-6-amine; sulfuric acid
• Synonyms: N,N-dimethylquinolin-6-amine sulfate

Database IDs

• PubChem SID: 162214830
• PubChem CID: 16411160

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0590286
• LogD (pH = 7.4): 2.2361207
• Log P: 2.2389443
• Molar Refractivity: 54.4079 cm^3
• Polarizability: 21.854374 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: H2SO4