4-(3,4-Dimethoxyphenyl)-N-[2-(3,4-Dimethoxyphenyl)Ethyl]-4-(Isothiocyanatomethyl)-N,5-Dimethylhexan-1-Amine
[CAS# 102852-53-9]

Identification

• Name: 4-(3,4-Dimethoxyphenyl)-N-[2-(3,4-Dimethoxyphenyl)Ethyl]-4-(Isothiocyanatomethyl)-N,5-Dimethylhexan-1-Amine
• Synonyms: 4-(3,4-Dimethoxyphenyl)-N-[2-(3,4-Dimethoxyphenyl)Ethyl]-4-(Isothiocyanatomethyl)-N,5-Dimethyl-Hexan-1-Amine; 2-(3,4-Dimethoxyphenyl)Ethyl-[4-(3,4-Dimethoxyphenyl)-4-(Isothiocyanatomethyl)-5-Methyl-Hexyl]-Methyl-Amine; 5-((3,4-Dimethoxyphenethyl)Methylamino)-2-(3,4-Dimethoxyphenyl)-2-Isopropylpentyl Isothiocyanate
• Molecular Formula: C₂₈H₄₀N₂O₄S
• Molecular Weight: 500.70
• CAS Registry Number: 102852-53-9
• SMILES: S=C=NCC(CCCN(CCC1=CC(=C(C=C1)OC)OC)C)(C2=CC(=C(C=C2)OC)OC)C(C)C
• InChI: 1S/C28H40N2O4S/c1-21(2)28(19-29-20-35,23-10-12-25(32-5)27(18-23)34-7)14-8-15-30(3)16-13-22-9-11-24(31-4)26(17-22)33-6/h9-12,17-18,21H,8,13-16,19H2,1-7H3
• InChIKey: ZPHLZPWMGNFCCR-UHFFFAOYSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 614.2°C at 760 mmHg (Cal.)
• Flash point: 325.257°C (Cal.)