(+)-2-alpha-Tropanyl 3,4,5-trimethoxybenzoate

Base Information

• Chemical Name: (+)-2-alpha-Tropanyl 3,4,5-trimethoxybenzoate
• CAS No.: 87395-54-8
• Molecular Formula: C18H25NO5
• Molecular Weight: 335.39
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID201007528
• Mol file: 87395-54-8.mol

Synonyms:(+)-2-alpha-Tropanyl 3,4,5-trimethoxybenzoate;BRN 5768515;87395-54-8;1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-;Benzoic acid, 3,4,5-trimethoxy-, 1-alpha-H,5-alpha-H-tropan-2-alpha-yl ester, (+)-;DTXSID201007528;8-Methyl-8-azabicyclo[3.2.1]octan-2-yl 3,4,5-trimethoxybenzoate

Chemical Property of (+)-2-alpha-Tropanyl 3,4,5-trimethoxybenzoate

Chemical Property:

• Vapor Pressure: 7.38E-07mmHg at 25°C
• Boiling Point: 407.7°C at 760 mmHg
• Flash Point: 200.4°C
• PSA: 57.23000
• Density: 1.2g/cm³
• LogP: 2.43230
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 335.17327290
• Heavy Atom Count: 24
• Complexity: 431

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1C(CC2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC
• Isomeric SMILES: CN1[C@@H]2CCC1CCC2OC(=O)C3=CC(=C(C(=C3)OC)OC)OC