(4-chlorophenyl)(thiophen-2-yl)methanamine hydrochloride

• ChemBase ID: 259164
• Molecular Formular: C11H11Cl2NS
• Molecular Mass: 260.18274
• Monoisotopic Mass: 258.99892572
• SMILES: c1(sccc1)C(c1ccc(cc1)Cl)N.Cl
• Canonical SMILES: Clc1ccc(cc1)C(c1cccs1)N.Cl
• InChI: InChI=1S/C11H10ClNS.ClH/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10;/h1-7,11H,13H2;1H
• InChIKey: VYWROTPKKZWLLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(thiophen-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4-chlorophenyl)(thiophen-2-yl)methanamine hydrochloride
• Synonyms: (4-chlorophenyl)(thiophen-2-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD11857964
• PubChem SID: 164315074
• PubChem CID: 42950978

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7000501
• LogD (pH = 7.4): 2.298927
• Log P: 3.4001806
• Molar Refractivity: 60.5089 cm^3
• Polarizability: 23.793133 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 248 - 250°C
• Hydrophobicity(logP): 2.801

Product Information

• Purity: 95%