3-(3-Isobutyl-1-pentyl-3-pyrrolidinyl)phenol citrate

Base Information

• Chemical Name: 3-(3-Isobutyl-1-pentyl-3-pyrrolidinyl)phenol citrate
• CAS No.: 35452-83-6
• Molecular Formula: C25H39NO8
• Molecular Weight: 481.5791
• DSSTox Substance ID: DTXSID10956862
• Mol file: 35452-83-6.mol

Synonyms:35452-83-6;3-(3-Isobutyl-1-pentyl-3-pyrrolidinyl)phenol citrate;DTXSID10956862;Phenol, 3-(3-isobutyl-1-pentyl-3-pyrrolidinyl)-, citrate;2-Hydroxypropane-1,2,3-tricarboxylic acid--3-[3-(2-methylpropyl)-1-pentylpyrrolidin-3-yl]phenol (1/1)

Chemical Property of 3-(3-Isobutyl-1-pentyl-3-pyrrolidinyl)phenol citrate

Chemical Property:

• Vapor Pressure: 4.16E-07mmHg at 25°C
• Boiling Point: 404.1°C at 760 mmHg
• Flash Point: 173°C
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 481.26756720
• Heavy Atom Count: 34
• Complexity: 531

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCN1CCC(C1)(CC(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

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