1-methyl-1H-indole-4-carboximidamide

• ChemBase ID: 308746
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: c12ccn(c1cccc2C(=N)N)C
• Canonical SMILES: NC(=N)c1cccc2c1ccn2C
• InChI: InChI=1S/C10H11N3/c1-13-6-5-7-8(10(11)12)3-2-4-9(7)13/h2-6H,1H3,(H3,11,12)
• InChIKey: SCBVYXULKWYNBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indole-4-carboximidamide
• IUPAC Traditional name: 1-methylindole-4-carboximidamide
• Synonyms: 1-methyl-1H-indole-4-carboximidamide

Database IDs

• CAS Number: 1030422-66-2
• MDL Number: MFCD12197764

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1990981
• LogD (pH = 7.4): -1.1830593
• Log P: 1.2161523
• Molar Refractivity: 63.7137 cm^3
• Polarizability: 21.032183 Å^3
• Polar Surface Area: 54.8 Å^2