2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide

• ChemBase ID: 230586
• Molecular Formular: C11H15N3O
• Molecular Mass: 205.2563
• Monoisotopic Mass: 205.12151212
• SMILES: N1(c2c(CCC1)cccc2)CC(=O)NN
• Canonical SMILES: NNC(=O)CN1CCCc2c1cccc2
• InChI: InChI=1S/C11H15N3O/c12-13-11(15)8-14-7-3-5-9-4-1-2-6-10(9)14/h1-2,4,6H,3,5,7-8,12H2,(H,13,15)
• InChIKey: QHIRAJVXKFEPFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
• Synonyms: (3,4-Dihydro-2H-quinolin-1-yl)-acetic acid hydrazide

Database IDs

• MDL Number: MFCD02711187
• PubChem SID: 164286496
• PubChem CID: 2327118

CALCULATED PROPERTIES

• Acid pKa: 12.971142
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9392475
• LogD (pH = 7.4): 0.94029737
• Log P: 0.94031185
• Molar Refractivity: 60.7881 cm^3
• Polarizability: 22.502623 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): 1.282

Product Information

• Purity: 95%