N-Isopropyl-piperonylamine citrate

Base Information

• Chemical Name: N-Isopropyl-piperonylamine citrate
• CAS No.: 72156-44-6
• Molecular Formula: C39H53N3O13
• Molecular Weight: 771.856
• DSSTox Substance ID: DTXSID30992883
• Mol file: 72156-44-6.mol

Synonyms:CRL 40599F;N-Isopropyl-piperonylamine citrate;72156-44-6;N-Isopropyl-piperonylamine citrate [French];1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (3:1);DTXSID30992883;C11H14NO2.1/3C6H8O7;LS-34733;C11-H14-N-O2.1/3C6-H8-O7;2-Hydroxypropane-1,2,3-tricarboxylic acid--N-[(2H-1,3-benzodioxol-5-yl)methyl]propan-2-amine (1/3)

Chemical Property of N-Isopropyl-piperonylamine citrate

Chemical Property:

• Vapor Pressure: 0.00578mmHg at 25°C
• Boiling Point: 273.3°C at 760 mmHg
• Flash Point: 109.5°C
• PSA: 162.62000
• LogP: 1.05570
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 14
• Exact Mass: 771.35783875
• Heavy Atom Count: 55
• Complexity: 412

Purity/Quality:

N-(1-METHYLETHYL)-1,3-BENZODIOXOLE-5-METHANAMINE-2-HYDROXY-1,2,3-PR OPANETRICARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

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