Isonipecotic acid, 3,5-bis(morpholinomethyl)-1-(isobutyl)-4-phenyl-, ethyl ester, oxalate

Base Information

• Chemical Name: Isonipecotic acid, 3,5-bis(morpholinomethyl)-1-(isobutyl)-4-phenyl-, ethyl ester, oxalate
• CAS No.: 70436-64-5
• Molecular Formula: C30H47N3O8
• Molecular Weight: 577.7095
• DSSTox Substance ID: DTXSID10990645

Synonyms:Isonipecotic acid, 3,5-bis(morpholinomethyl)-1-(isobutyl)-4-phenyl-, ethyl ester, oxalate;4-Piperidinecarboxylic acid, 3,5-bis(4-morpholinylmethyl)-4-phenyl-1-(2-methylpropyl)-, ethyl ester, ethanedioate;70436-64-5;DTXSID10990645;C28H45N3O4.C2H2O4;LS-114652;C28-H45-N3-O4.C2-H2-O4;Oxalic acid--ethyl 1-(2-methylpropyl)-3,5-bis[(morpholin-4-yl)methyl]-4-phenylpiperidine-4-carboxylate (1/1)

Chemical Property of Isonipecotic acid, 3,5-bis(morpholinomethyl)-1-(isobutyl)-4-phenyl-, ethyl ester, oxalate

Chemical Property:

• Vapor Pressure: 5.17E-13mmHg at 25°C
• Boiling Point: 570.2°C at 760 mmHg
• Flash Point: 298.6°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 577.33631547
• Heavy Atom Count: 41
• Complexity: 684

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(C(CN(CC1CN2CCOCC2)CC(C)C)CN3CCOCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

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