2-[2-(pyridin-2-yl)-1H-indol-3-yl]ethan-1-amine hydrochloride

• ChemBase ID: 73414
• Molecular Formular: C15H16ClN3
• Molecular Mass: 273.76064
• Monoisotopic Mass: 273.10327521
• SMILES: [nH]1c(c(c2ccccc12)CCN)c1ncccc1.Cl
• Canonical SMILES: NCCc1c([nH]c2c1cccc2)c1ccccn1.Cl
• InChI: InChI=1S/C15H15N3.ClH/c16-9-8-12-11-5-1-2-6-13(11)18-15(12)14-7-3-4-10-17-14;/h1-7,10,18H,8-9,16H2;1H
• InChIKey: ZUDXMPIFLYFHNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(pyridin-2-yl)-1H-indol-3-yl]ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-[2-(pyridin-2-yl)-1H-indol-3-yl]ethanamine hydrochloride
• Synonyms: 2-(2-Pyridin-2-yl-1H-indol-3-yl)ethylamine hydrochloride; 2-(2-PYRIDIN-2-YL-1H-INDOL-3-YL)ETHANAMINE MONOHYDROCHLORIDE

Database IDs

• CAS Number: 374064-08-1
• MDL Number: MFCD06245347
• PubChem SID: 162038334
• PubChem CID: 2771639

CALCULATED PROPERTIES

• Acid pKa: 14.826641
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.790795
• LogD (pH = 7.4): 0.024001809
• Log P: 2.2218418
• Molar Refractivity: 72.8577 cm^3
• Polarizability: 30.909533 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 98%