4-hydrazinyl-2,8-dimethylquinoline

• ChemBase ID: 816062
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: c1c(c2c(cc1)c(cc(n2)C)NN)C
• Canonical SMILES: NNc1cc(C)nc2c1cccc2C
• InChI: InChI=1S/C11H13N3/c1-7-4-3-5-9-10(14-12)6-8(2)13-11(7)9/h3-6H,12H2,1-2H3,(H,13,14)
• InChIKey: XDMSDOXCZHKTDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-2,8-dimethylquinoline
• IUPAC Traditional name: 4-hydrazinyl-2,8-dimethylquinoline
• Synonyms: 2,8-DIMETHYL-4-HYDRAZINOQUINOLINE

Database IDs

• CAS Number: 49612-06-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6364593
• LogD (pH = 7.4): 2.0515773
• Log P: 2.1673346
• Molar Refractivity: 59.3187 cm^3
• Polarizability: 23.089008 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%