1H-indole-3-carboximidamide

• ChemBase ID: 306963
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c1(c[nH]c2c1cccc2)C(=N)N
• Canonical SMILES: NC(=N)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C9H9N3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H,(H3,10,11)
• InChIKey: JJURUVSVHQHERL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indole-3-carboximidamide
• IUPAC Traditional name: 1H-indole-3-carboximidamide
• Synonyms: 1H-indole-3-carboximidamide

Database IDs

• CAS Number: 764600-87-5
• MDL Number: MFCD05663300

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.4227735
• LogD (pH = 7.4): -1.40669
• Log P: 0.9924763
• Molar Refractivity: 58.817 cm^3
• Polarizability: 19.271841 Å^3
• Polar Surface Area: 65.66 Å^2