(2S,4R,5S)-Muscarine

Base Information

• Chemical Name: (2S,4R,5S)-Muscarine
• CAS No.: 300-54-9
• Molecular Formula: C9H20 N O2
• Molecular Weight: 174.30
• DSSTox Substance ID: DTXSID101018055
• Nikkaji Number: J1.552.969E
• ChEMBL ID: CHEMBL404094
• Mol file: 300-54-9.mol

Synonyms:(2S,4R,5S)-Muscarine;(4-hydroxy-5-methyloxolan-2-yl)methyl-trimethylazanium;Muscarine II;CHEMBL404094;SCHEMBL17428402;DTXSID101018055;2,5-Anhydro-1,3,6-trideoxy-1-(trimethylazaniumyl)hexitol;Trimethyl(tetrahydro-4-hydroxy-5-methylfurfuryl)-Ammonium;Tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-2-furanmethanaminium;7619-12-7

Chemical Property of (2S,4R,5S)-Muscarine

Chemical Property:

• Refractive Index: 1.4090 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 29.46000
• Density: g/cm³
• LogP: 0.23090
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.149403881
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99%, ^*data from raw suppliers

MUSCARINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(CC(O1)C[N+](C)(C)C)O
• Uses: Cosmetics and perfumery (fixative), fragrances,mothproofing agent.