3-(Diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-1-propanone (E)-2-butenedioate (1:1)

Base Information

• Chemical Name: 3-(Diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-1-propanone (E)-2-butenedioate (1:1)
• CAS No.: 69566-91-2
• Molecular Formula: C20H29NO5S
• Molecular Weight: 395.513

Synonyms:3-(Diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-1-propanone (E)-2-butenedioate (1:1);1-Propanone, 3-(diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-, (E)-2-butenedioate (1:1);69566-91-2;C16H25NOS.C4H4O4;C16-H25-N-O-S.C4-H4-O4;LS-122864

Chemical Property of 3-(Diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-1-propanone (E)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.36E-06mmHg at 25°C
• Boiling Point: 399.5°C at 760 mmHg
• Flash Point: 195.4°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 395.17664420
• Heavy Atom Count: 27
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC(C)C(=O)C1=CC=C(C=C1)SCC.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCN(CC)CC(C)C(=O)C1=CC=C(C=C1)SCC.C(=C/C(=O)O)\C(=O)O

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