Methapyrilene
[CAS# 91-80-5]

Identification

• Name: Methapyrilene
• Synonyms: N',N'-Dimethyl-N-(2-Pyridyl)-N-(2-Thienylmethyl)Ethane-1,2-Diamine; 2-Dimethylaminoethyl-(2-Pyridyl)-(2-Thienylmethyl)Amine; Semikon
• Molecular Formula: C₁₄H₁₉N₃S
• Molecular Weight: 261.38
• CAS Registry Number: 91-80-5
• EINECS: 202-099-8
• SMILES: C2=C(N(CC1=CC=CS1)CCN(C)C)N=CC=C2
• InChI: 1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
• InChIKey: HNJJXZKZRAWDPF-UHFFFAOYSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 389.56°C at 760 mmHg (Cal.)
• Flash point: 189.4°C (Cal.)

Safety Data

• Safety Description: Safety glasses, adequate ventilation.

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493