5-chloro-4-hydrazinyl-8-methylquinoline hydrochloride

• ChemBase ID: 805247
• Molecular Formular: C10H11Cl2N3
• Molecular Mass: 244.12044
• Monoisotopic Mass: 243.03300273
• SMILES: Cl.c1c(c2c(c(c1)Cl)c(ccn2)NN)C
• Canonical SMILES: NNc1ccnc2c1c(Cl)ccc2C.Cl
• InChI: InChI=1S/C10H10ClN3.ClH/c1-6-2-3-7(11)9-8(14-12)4-5-13-10(6)9;/h2-5H,12H2,1H3,(H,13,14);1H
• InChIKey: WLYJWSUJTWQFAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-hydrazinyl-8-methylquinoline hydrochloride
• IUPAC Traditional name: 5-chloro-4-hydrazinyl-8-methylquinoline hydrochloride
• Synonyms: 5-CHLORO-4-HYDRAZINO-8-METHYLQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1057749
• LogD (pH = 7.4): 2.6305761
• Log P: 2.6400092
• Molar Refractivity: 59.532 cm^3
• Polarizability: 23.14054 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%