2-Amino-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarbonitrile
[CAS# 861408-82-4]

Identification

• Name: 2-Amino-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarbonitrile
• Synonyms: 2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carbonitrile; 3-THIOPHENECARBONITRILE,2-AMINO-5-METHYL-4-[4-(2-METHYLPROPYL)PHENYL]-; MFCD02854890
• Molecular Formula: C₁₆H₁₈N₂S
• Molecular Weight: 270.39
• CAS Registry Number: 861408-82-4
• SMILES: N#Cc2c(c1ccc(cc1)CC(C)C)c(sc2N)C
• InChI: 1S/C16H18N2S/c1-10(2)8-12-4-6-13(7-5-12)15-11(3)19-16(18)14(15)9-17/h4-7,10H,8,18H2,1-3H3
• InChIKey: XYYGRLZKMGSDBJ-UHFFFAOYSA-N

Properties

• Density: 1.151g/cm³ (Cal.)
• Boiling point: 422.747°C at 760 mmHg (Cal.)
• Flash point: 209.47°C (Cal.)
• Refractive index: 1.605 (Cal.)

Safety Data

• Safety Description: IRRITANT