2-(thiophen-2-yl)aniline hydrochloride

• ChemBase ID: 34139
• Molecular Formular: C10H10ClNS
• Molecular Mass: 211.7111
• Monoisotopic Mass: 211.02224801
• SMILES: s1c(ccc1)c1ccccc1N.Cl
• Canonical SMILES: Nc1ccccc1c1cccs1.Cl
• InChI: InChI=1S/C10H9NS.ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;/h1-7H,11H2;1H
• InChIKey: WDJVKCOXPQGNOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)aniline hydrochloride
• IUPAC Traditional name: 2-(thiophen-2-yl)aniline hydrochloride
• Synonyms: 2-Thien-2-ylaniline hydrochloride; 2-(2-Aminophenyl)thiophene hydrochloride; 2-(Thien-2-yl)aniline hydrochloride

Database IDs

• CAS Number: 62532-99-4
• MDL Number: MFCD07365346
• PubChem SID: 160997446
• PubChem CID: 17482915

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5644574
• LogD (pH = 7.4): 2.5686398
• Log P: 2.5686932
• Molar Refractivity: 52.7845 cm^3
• Polarizability: 21.119408 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 2.699

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl