Brindoxime

Base Information

• Chemical Name: Brindoxime
• CAS No.: 55837-17-7
• Molecular Formula: C18H19 Br2 N5 O2
• Molecular Weight: 497.18
• DSSTox Substance ID: DTXSID001023972
• Nikkaji Number: J11.040J
• Wikidata: Q27261832
• NCI Thesaurus Code: C78094
• Mol file: 55837-17-7.mol

Synonyms:Brindoxime;Brindoxima;Brindoximum;55837-17-7;Brindoxime [INN];UNII-5CA81DKM2L;2-[(E)-(6,8-dibromoindeno[2,3-d]pyrimidin-9-ylidene)amino]oxy-N-[2-(dimethylamino)ethyl]propanamide;2-(((6,8-Dibromo-9H-indeno(2,1-d)pyrimidin-9-ylidene)amino)oxy)-N-(2-(dimethylamino)ethyl)propionamide;5CA81DKM2L;C18H19Br2N5O2;DTXSID001023972;C18-H19-Br2-N5-O2;Q27261832;Propanamide, 2-[[(6,8-dibromo-9H-indeno[2,1-d]pyrimidin-9-ylidene)amino]oxy]-N-[2-(dimethylamino)ethyl]-

Chemical Property of Brindoxime

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 79.71000
• Density: 1.69g/cm³
• LogP: 3.20820
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 496.98850
• Heavy Atom Count: 27
• Complexity: 562

Purity/Quality:

99% ^*data from raw suppliers

Brindoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NCCN(C)C)ON=C1C2=C(C=C(C=C2Br)Br)C3=CN=CN=C31
• Isomeric SMILES: CC(C(=O)NCCN(C)C)O/N=C/1\C2=C(C=C(C=C2Br)Br)C3=CN=CN=C31

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