[6-(thiophen-2-yl)pyridin-3-yl]methanamine dihydrochloride

• ChemBase ID: 89629
• Molecular Formular: C10H12Cl2N2S
• Molecular Mass: 263.18668
• Monoisotopic Mass: 262.00982475
• SMILES: n1c(ccc(c1)CN)c1cccs1.Cl.Cl
• Canonical SMILES: NCc1ccc(nc1)c1cccs1.Cl.Cl
• InChI: InChI=1S/C10H10N2S.2ClH/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10;;/h1-5,7H,6,11H2;2*1H
• InChIKey: FWNBHEVGWIALSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(thiophen-2-yl)pyridin-3-yl]methanamine dihydrochloride
• IUPAC Traditional name: [6-(thiophen-2-yl)pyridin-3-yl]methanamine dihydrochloride
• Synonyms: (6-thien-2-ylpyridin-3-yl)methylamine dihydrochloride; 5-(Aminomethyl)-2-(thien-2-yl)pyridine dihydrochloride; 2-[5-(Aminomethyl)pyridin-2-yl]thiophene dihydrochloride; [6-(Thien-2-yl)pyridin-3-yl]methylamine dihydrochloride

Database IDs

• CAS Number: 913830-32-7
• MDL Number: MFCD09025878
• PubChem SID: 162076494
• PubChem CID: 24229545

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2446939
• LogD (pH = 7.4): -0.029806172
• Log P: 1.6915655
• Molar Refractivity: 54.0286 cm^3
• Polarizability: 22.439375 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 270-272°C

Safety Information

• Storage Warning: Toxic/Harmful/Irritant

Product Information

• Purity: 90%