[5-(pyridin-2-yl)thiophen-2-yl]methanamine dihydrochloride

• ChemBase ID: 80505
• Molecular Formular: C10H12Cl2N2S
• Molecular Mass: 263.18668
• Monoisotopic Mass: 262.00982475
• SMILES: s1c(ccc1CN)c1ccccn1.Cl.Cl
• Canonical SMILES: NCc1ccc(s1)c1ccccn1.Cl.Cl
• InChI: InChI=1S/C10H10N2S.2ClH/c11-7-8-4-5-10(13-8)9-3-1-2-6-12-9;;/h1-6H,7,11H2;2*1H
• InChIKey: WGUHZRVGSBVNMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyridin-2-yl)thiophen-2-yl]methanamine dihydrochloride
• IUPAC Traditional name: [5-(pyridin-2-yl)thiophen-2-yl]methanamine dihydrochloride
• Synonyms: 1-[5-(Pyridin-2-yl)thien-2-yl]methylamine dihydrochloride 97%; [5-(2-pyridinyl)-2-thienyl]methylamine dihydrochloride

Database IDs

• CAS Number: 423768-36-9
• MDL Number: MFCD03407315
• PubChem SID: 162067625
• PubChem CID: 2776204

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0030357
• LogD (pH = 7.4): 0.46924984
• Log P: 1.824005
• Molar Refractivity: 53.8127 cm^3
• Polarizability: 22.443327 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263-265°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%