1-Propanone, 1-(2-(3-((1,1-dimethylpropyl)amino)-2-hydroxypropoxy)phenyl)-3-(1-methyl-1H-pyrazol-4-yl)-, (E)-2-butenedioate (1:1) (salt)

Base Information

• Chemical Name: 1-Propanone, 1-(2-(3-((1,1-dimethylpropyl)amino)-2-hydroxypropoxy)phenyl)-3-(1-methyl-1H-pyrazol-4-yl)-, (E)-2-butenedioate (1:1) (salt)
• CAS No.: 98707-77-8
• Molecular Formula: C25H35N3O7
• Molecular Weight: 489.5613

Synonyms:1-Propanone, 1-(2-(3-((1,1-dimethylpropyl)amino)-2-hydroxypropoxy)phenyl)-3-(1-methyl-1H-pyrazol-4-yl)-, (E)-2-butenedioate (1:1) (salt);98707-77-8;C21H31N3O3.C4H4O4;LS-122968;C21-H31-N3-O3.C4-H4-O4

Chemical Property of 1-Propanone, 1-(2-(3-((1,1-dimethylpropyl)amino)-2-hydroxypropoxy)phenyl)-3-(1-methyl-1H-pyrazol-4-yl)-, (E)-2-butenedioate (1:1) (salt)

Chemical Property:

• Vapor Pressure: 5.09E-13mmHg at 25°C
• Boiling Point: 552°Cat760mmHg
• Flash Point: 287.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 489.24750046
• Heavy Atom Count: 35
• Complexity: 577

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CN(N=C2)C)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CN(N=C2)C)O.C(=C/C(=O)O)\C(=O)O

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