2-hydrazinyl-4,6,8-trimethylquinoline

• ChemBase ID: 232310
• Molecular Formular: C12H15N3
• Molecular Mass: 201.2676
• Monoisotopic Mass: 201.1265975
• SMILES: c12c(c(cc(n1)NN)C)cc(cc2C)C
• Canonical SMILES: NNc1cc(C)c2c(n1)c(C)cc(c2)C
• InChI: InChI=1S/C12H15N3/c1-7-4-9(3)12-10(5-7)8(2)6-11(14-12)15-13/h4-6H,13H2,1-3H3,(H,14,15)
• InChIKey: VXQHWTFBYYYFGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4,6,8-trimethylquinoline
• IUPAC Traditional name: 2-hydrazinyl-4,6,8-trimethylquinoline
• Synonyms: (4,6,8-Trimethyl-quinolin-2-yl)-hydrazine

Database IDs

• MDL Number: MFCD04610167
• PubChem SID: 164288220
• PubChem CID: 2451161

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8307781
• LogD (pH = 7.4): 2.4758844
• Log P: 3.6572647
• Molar Refractivity: 65.1231 cm^3
• Polarizability: 24.854006 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): 3.621

Product Information

• Purity: 95%