3-(1-Methyl-3-isobutyl-3-pyrrolidinyl)phenol citrate

Base Information

• Chemical Name: 3-(1-Methyl-3-isobutyl-3-pyrrolidinyl)phenol citrate
• CAS No.: 64047-75-2
• Molecular Formula: C21H31NO8
• Molecular Weight: 425.4727
• DSSTox Substance ID: DTXSID90982245

Synonyms:3-(3-Isobutyl-1-methylpyrrolidin-3-yl)phenol 2-hydroxypropane-1,2,3-tricarboxylate;64047-75-2;3-(1-Methyl-3-isobutyl-3-pyrrolidinyl)phenol citrate;3-Sec-butyl-6-methyluracil;DTXSID90982245;Phenol, 3-(1-methyl-3-isobutyl-3-pyrrolidinyl)-, citrate;Pyrrolidine, 3-(m-hydroxyphenyl)-3-isobutyl-1-methyl-, citrate;A835266;2-Hydroxypropane-1,2,3-tricarboxylic acid--3-[1-methyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol (1/1)

Chemical Property of 3-(1-Methyl-3-isobutyl-3-pyrrolidinyl)phenol citrate

Chemical Property:

• Vapor Pressure: 3.08E-05mmHg at 25°C
• Boiling Point: 345.5°Cat760mmHg
• Flash Point: 152.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 425.20496695
• Heavy Atom Count: 30
• Complexity: 481

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• Canonical SMILES: CC(C)CC1(CCN(C1)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

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