2-hydrazinyl-4,7,8-trimethylquinoline

• ChemBase ID: 56029
• Molecular Formular: C12H15N3
• Molecular Mass: 201.2676
• Monoisotopic Mass: 201.1265975
• SMILES: c12nc(cc(c1ccc(c2C)C)C)NN
• Canonical SMILES: NNc1cc(C)c2c(n1)c(C)c(cc2)C
• InChI: InChI=1S/C12H15N3/c1-7-4-5-10-8(2)6-11(15-13)14-12(10)9(7)3/h4-6H,13H2,1-3H3,(H,14,15)
• InChIKey: LPDWOEAWNMGOAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4,7,8-trimethylquinoline
• IUPAC Traditional name: 2-hydrazinyl-4,7,8-trimethylquinoline
• Synonyms: 2-Hydrazino-4,7,8-trimethylquinoline

Database IDs

• CAS Number: 793727-49-8
• MDL Number: MFCD06364948
• PubChem SID: 162060792
• PubChem CID: 2565905

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8206385
• LogD (pH = 7.4): 2.286661
• Log P: 3.6572647
• Molar Refractivity: 65.1231 cm^3
• Polarizability: 24.85371 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 3.571

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%