1H-indol-1-amine

• ChemBase ID: 293790
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: Nn1ccc2c1cccc2
• Canonical SMILES: Nn1ccc2c1cccc2
• InChI: InChI=1S/C8H8N2/c9-10-6-5-7-3-1-2-4-8(7)10/h1-6H,9H2
• InChIKey: VUSYGSNEEYEGGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indol-1-amine
• IUPAC Traditional name: indol-1-amine
• Synonyms: 1-Aminoindole

Database IDs

• CAS Number: 53406-38-5
• MDL Number: MFCD00151983
• PubChem SID: 180679321
• PubChem CID: 643221

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.106248
• LogD (pH = 7.4): 1.1064068
• Log P: 1.1064088
• Molar Refractivity: 43.0393 cm^3
• Polarizability: 16.737322 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%