(S)-Neolitsine

Base Information

• Chemical Name: (S)-Neolitsine
• CAS No.: 2466-42-4
• Molecular Formula: C19H17 N O4
• Molecular Weight: 323.34
• Nikkaji Number: J440.148D
• Wikidata: Q104397881
• Mol file: 2466-42-4.mol

Synonyms:(S)-Neolitsine;13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene;CHEBI:174350;(12S)-13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene;(12S)-13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0^{2,10.0^{4,8.0^{16,23.0^{18,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene

Chemical Property of (S)-Neolitsine

Chemical Property:

• Melting Point: 149-150 °C
• Boiling Point: 485.1±34.0 °C(Predicted)
• PKA: 6.65±0.20(Predicted)
• PSA: 40.16000
• Density: 1.398±0.06 g/cm3(Predicted)
• LogP: 2.83400
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 323.11575802
• Heavy Atom Count: 24
• Complexity: 516

Purity/Quality:

99%+, ^*data from raw suppliers

Neolitsine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=CC6=C(C=C54)OCO6)OCO3