1H-indole-7-carbohydrazide

• ChemBase ID: 85876
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: [nH]1c2c(cccc2cc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccc2c1[nH]cc2
• InChI: InChI=1S/C9H9N3O/c10-12-9(13)7-3-1-2-6-4-5-11-8(6)7/h1-5,11H,10H2,(H,12,13)
• InChIKey: NCFMBDUFIJHHAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indole-7-carbohydrazide
• IUPAC Traditional name: 1H-indole-7-carbohydrazide
• Synonyms: 1H-Indole-7-carboxylic acid hydrazide; 7-(Hydrazinocarbonyl)-1H-indole; 1H-Indole-7-carbohydrazide

Database IDs

• CAS Number: 321309-24-4
• MDL Number: MFCD00572868
• PubChem SID: 162072992
• PubChem CID: 712457

CALCULATED PROPERTIES

• Acid pKa: 13.731249
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 0.62534523
• LogD (pH = 7.4): 0.6261618
• Log P: 0.6261724
• Molar Refractivity: 50.707 cm^3
• Polarizability: 19.796824 Å^3
• Polar Surface Area: 70.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177-178°C

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Light Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 97%; 98%