endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 2-propylvalerate

Base Information

• Chemical Name: endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 2-propylvalerate
• CAS No.: 25333-49-7
• Deprecated CAS: 54333-76-5
• Molecular Formula: C16H29 N O2
• Molecular Weight: 267.407
• European Community (EC) Number: 246-858-1
• UNII: MJJ5G1G8OM
• DSSTox Substance ID: DTXSID901016372
• Nikkaji Number: J110.743G
• Wikidata: Q27284064
• NCI Thesaurus Code: C87426
• Mol file: 25333-49-7.mol

Synonyms:25333-49-7;MJJ5G1G8OM;UNII-MJJ5G1G8OM;endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 2-propylvalerate;EINECS 246-858-1;ANISOTROPINE [VANDF];OCTATROPINE [WHO-DD];DTXSID901016372;Q27284064;PENTANOIC ACID, 2-PROPYL-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER

Chemical Property of endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 2-propylvalerate

Chemical Property:

• Vapor Pressure: 0.000144mmHg at 25°C
• Boiling Point: 332.6°Cat760mmHg
• PKA: 10.03±0.40(Predicted)
• Flash Point: 101.4°C
• PSA: 29.54000
• Density: 1g/cm³
• LogP: 3.30910
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 267.219829168
• Heavy Atom Count: 19
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)OC1CC2CCC(C1)N2C
• Isomeric SMILES: CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C

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