3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate

Base Information

• Chemical Name: 3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate
• CAS No.: 64047-90-1
• Molecular Formula: C22H29 N O2 . Cl H . H2 O
• Molecular Weight: 393.9474
• DSSTox Substance ID: DTXSID40276161,DTXSID40982255

Synonyms:3-{1-[2-(4-hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate;64047-90-1;Phenol, m-(1-(p-hydroxyphenethyl)-3-isobutyl-3-pyrrolidinyl)-, hydrochloride, hydrate;DTXSID40276161;DTXSID40982255;Pyrrolidine, 1-(p-hydroxyphenethyl)-3-(m-hydroxyphenyl)-3-isobutyl-, hydrochloride, hydrate;3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-(2-methylpropyl)pyrrolidin-3-yl}phenol--hydrogen chloride--water (1/1/1)

Chemical Property of 3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate

Chemical Property:

• Vapor Pressure: 7.85E-11mmHg at 25°C
• Boiling Point: 505.3°C at 760 mmHg
• Flash Point: 252°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 393.2070716
• Heavy Atom Count: 27
• Complexity: 405

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O.O.Cl

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