2-hydrazinylquinoline

• ChemBase ID: 88159
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1c2c(ccc1NN)cccc2
• Canonical SMILES: NNc1ccc2c(n1)cccc2
• InChI: InChI=1S/C9H9N3/c10-12-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,10H2,(H,11,12)
• InChIKey: QMVCLSHKMIGEFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylquinoline
• IUPAC Traditional name: 2-hydrazinylquinoline
• Synonyms: 2-Hydrazinoquinoline; 2-hydrazinylquinoline; (Quinolin-2-yl)hydrazine; 2-Hydrazinoquinoline; 2-肼喹啉

Database IDs

• CAS Number: 1013-22-5; 15793-77-8
• EC Number: 239-899-1
• MDL Number: MFCD00041860
• PubChem SID: 162075188
• PubChem CID: 85111

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.42501995
• LogD (pH = 7.4): 1.650417
• Log P: 2.1170006
• Molar Refractivity: 49.9995 cm^3
• Polarizability: 19.561665 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141-143°C; 142°C; 148 - 150°C
• Hydrophobicity(logP): 2.124

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%