1H-indol-2-amine hydrochloride

• ChemBase ID: 160205
• Molecular Formular: C8H9ClN2
• Molecular Mass: 168.62346
• Monoisotopic Mass: 168.04542598
• SMILES: c1cccc2c1cc([nH]2)N.Cl
• Canonical SMILES: Nc1cc2c([nH]1)cccc2.Cl
• InChI: InChI=1S/C8H8N2.ClH/c9-8-5-6-3-1-2-4-7(6)10-8;/h1-5,10H,9H2;1H
• InChIKey: JIKSXSUBAADKKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indol-2-amine hydrochloride
• IUPAC Traditional name: 1H-indol-2-amine hydrochloride
• Synonyms: 1H-Indol-2-amine Hydrochloride; 2-Aminoindole Hydrochloride; 1H-Indol-2-aMine hydrochloride

Database IDs

• CAS Number: 27878-37-1
• PubChem SID: 162254340
• PubChem CID: 12211271

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.318381
• LogD (pH = 7.4): 1.3321939
• Log P: 1.3323729
• Molar Refractivity: 41.0982 cm^3
• Polarizability: 16.742645 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 16.530836

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: Pale Brown Solid
• Melting Point: >200°C (dec.)

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

Product Information

• Purity: 97%