N-[2-(1H-indol-1-yl)ethyl]tetracosanamide

• ChemBase ID: 157305
• Molecular Formular: C34H58N2O
• Molecular Mass: 510.83712
• Monoisotopic Mass: 510.45491449
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2c1cccc2
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2c1cccc2
• InChI: InChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-31-36-30-28-32-25-23-24-26-33(32)36/h23-26,28,30H,2-22,27,29,31H2,1H3,(H,35,37)
• InChIKey: KRRKABAFWRIPGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-1-yl)ethyl]tetracosanamide
• IUPAC Traditional name: N-[2-(indol-1-yl)ethyl]tetracosanamide
• Synonyms: LAT; N-Lignoceroyltryptamine; N-Tetracosanoyltryptamine; N-[2-(3-Indolyl)ethyl]tetracosanamide; Tetracosanoic acid tryptamide; N-[2-(3-吲哚基)乙基]二十四酰胺; N-二十四烷基色胺; N-二十四碳烷色胺; 二十四酸色酰胺

Database IDs

• CAS Number: 152766-94-4
• MDL Number: MFCD06411695
• PubChem SID: 162251442; 24846055
• PubChem CID: 16211114

CALCULATED PROPERTIES

• Acid pKa: 16.220032
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 11.354024
• LogD (pH = 7.4): 11.354025
• Log P: 11.354025
• Molar Refractivity: 160.6827 cm^3
• Polarizability: 64.76567 Å^3
• Polar Surface Area: 34.03 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 118-122 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (HPLC)
• Grade: analytical standard, for food analysis
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C34H58N2O