N-Vanillyl-7-Isopropylthioheptanamide
[CAS# 101517-14-0]

Identification

• Name: N-Vanillyl-7-Isopropylthioheptanamide
• Synonyms: N-[(4-Hydroxy-3-Methoxy-Phenyl)Methyl]-7-Isopropylsulfanyl-Heptanamide; N-[(4-Hydroxy-3-Methoxyphenyl)Methyl]-7-(Isopropylthio)Heptanamide; N-(4-Hydroxy-3-Methoxy-Benzyl)-7-(Isopropylthio)Enanthamide
• Molecular Formula: C₁₈H₂₉NO₃S
• Molecular Weight: 339.49
• CAS Registry Number: 101517-14-0
• SMILES: C1=C(C(=CC=C1CNC(CCCCCCSC(C)C)=O)O)OC
• InChI: 1S/C18H29NO3S/c1-14(2)23-11-7-5-4-6-8-18(21)19-13-15-9-10-16(20)17(12-15)22-3/h9-10,12,14,20H,4-8,11,13H2,1-3H3,(H,19,21)
• InChIKey: LNTXTSIMAYYROO-UHFFFAOYSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 544.523°C at 760 mmHg (Cal.)
• Flash point: 283.118°C (Cal.)