2-(1H-indol-1-yl)acetohydrazide

• ChemBase ID: 21681
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: n1(ccc2c1cccc2)CC(=O)NN
• Canonical SMILES: NNC(=O)Cn1ccc2c1cccc2
• InChI: InChI=1S/C10H11N3O/c11-12-10(14)7-13-6-5-8-3-1-2-4-9(8)13/h1-6H,7,11H2,(H,12,14)
• InChIKey: UZEQJKVSNQPVDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indol-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(indol-1-yl)acetohydrazide
• Synonyms: 2-(1H-Indol-1-yl)acetohydrazide

Database IDs

• MDL Number: MFCD08051080
• PubChem SID: 160984988
• PubChem CID: 3317658

CALCULATED PROPERTIES

• Acid pKa: 12.9116535
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6669456
• LogD (pH = 7.4): 0.67020583
• Log P: 0.67024887
• Molar Refractivity: 54.4321 cm^3
• Polarizability: 21.859417 Å^3
• Polar Surface Area: 60.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): 0.9

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%