2-Hydroxymethyl-2-phenyl-butyric acid 1-aza-bicyclo[2.2.2]oct-3-yl ester

Base Information

• Chemical Name: 2-Hydroxymethyl-2-phenyl-butyric acid 1-aza-bicyclo[2.2.2]oct-3-yl ester
• CAS No.: 100700-30-9
• Molecular Formula: C18H25 N O3 . Cl H
• Molecular Weight: 339.8569
• DSSTox Substance ID: DTXSID00905687
• ChEMBL ID: CHEMBL1561274

Synonyms:SMR000012372;MLS000073343;CHEMBL1561274;DTXSID00905687;REGID_for_CID_6603185;SR-01000388642;SR-01000388642-1;2-Hydroxymethyl-2-phenyl-butyric acid 1-aza-bicyclo[2.2.2]oct-3-yl ester;1-Azabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate--hydrogen chloride (1/1)

Chemical Property of 2-Hydroxymethyl-2-phenyl-butyric acid 1-aza-bicyclo[2.2.2]oct-3-yl ester

Chemical Property:

• Vapor Pressure: 8.1E-09mmHg at 25°C
• Boiling Point: 448.2°C at 760 mmHg
• Flash Point: 224.9°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 339.1601214
• Heavy Atom Count: 23
• Complexity: 386

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO)(C1=CC=CC=C1)C(=O)OC2CN3CCC2CC3.Cl

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