1-(2-phenyl-1,3-thiazol-5-yl)ethan-1-amine hydrochloride

• ChemBase ID: 814676
• Molecular Formular: C11H13ClN2S
• Molecular Mass: 240.75232
• Monoisotopic Mass: 240.04879711
• SMILES: Cl.C(C)(N)c1sc(nc1)c1ccccc1
• Canonical SMILES: CC(c1cnc(s1)c1ccccc1)N.Cl
• InChI: InChI=1S/C11H12N2S.ClH/c1-8(12)10-7-13-11(14-10)9-5-3-2-4-6-9;/h2-8H,12H2,1H3;1H
• InChIKey: XZWFTTUFTCONGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenyl-1,3-thiazol-5-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2-phenyl-1,3-thiazol-5-yl)ethanamine hydrochloride
• Synonyms: 1-(2-phenylthiazol-5-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 1196155-65-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.43695128
• LogD (pH = 7.4): 1.1034006
• Log P: 2.3315918
• Molar Refractivity: 69.0443 cm^3
• Polarizability: 23.601505 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%