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4-PHENOXYBUTAN-1-AMINE, also known as PBamine, is a chemical compound with the molecular formula C10H15NO. It is a primary amine that features a butyl chain with a phenoxy group attached to the first carbon. PBamine is recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals, as well as its utility as a building block in organic synthesis and a precursor for the production of various organic compounds. Its potential as a therapeutic agent in medicinal chemistry is also being explored for the treatment of a range of diseases and conditions.

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  • 16728-66-8 Structure
  • Basic information

    1. Product Name: 4-PHENOXYBUTAN-1-AMINE
    2. Synonyms: Nsc78379
    3. CAS NO:16728-66-8
    4. Molecular Formula: C10H15NO
    5. Molecular Weight: 165.23
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 16728-66-8.mol
  • Chemical Properties

    1. Melting Point: 79.5 °C(Solv: ethanol (64-17-5))
    2. Boiling Point: 271.8°Cat760mmHg
    3. Flash Point: 118.5°C
    4. Appearance: /
    5. Density: 0.991g/cm3
    6. Vapor Pressure: 0.00632mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 10.29±0.10(Predicted)
    11. CAS DataBase Reference: 4-PHENOXYBUTAN-1-AMINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-PHENOXYBUTAN-1-AMINE(16728-66-8)
    13. EPA Substance Registry System: 4-PHENOXYBUTAN-1-AMINE(16728-66-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 16728-66-8(Hazardous Substances Data)

16728-66-8 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
4-PHENOXYBUTAN-1-AMINE is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals for its ability to contribute to the development of new drugs and pesticides.
Used in Organic Synthesis:
PBamine is utilized as a building block in organic synthesis, playing a crucial role in the creation of complex organic molecules and compounds.
Used in Production of Organic Compounds:
As a precursor, 4-PHENOXYBUTAN-1-AMINE is used in the production of a variety of organic compounds, highlighting its versatility in chemical manufacturing.
Used in Medicinal Chemistry Research:
PBamine is studied for its potential application in medicinal chemistry, particularly as a therapeutic agent for the treatment of various diseases and conditions, showcasing its promise in advancing healthcare solutions.

Check Digit Verification of cas no

The CAS Registry Mumber 16728-66-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,7,2 and 8 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 16728-66:
(7*1)+(6*6)+(5*7)+(4*2)+(3*8)+(2*6)+(1*6)=128
128 % 10 = 8
So 16728-66-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H15NO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2/p+1

16728-66-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-phenoxybutan-1-amine

1.2 Other means of identification

Product number -
Other names 1-Butanamine,4-phenoxy

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:16728-66-8 SDS

16728-66-8Relevant articles and documents

Quadruple Stimuli-Responsive Mechanized Silica Nanoparticles: A Promising Multifunctional Nanomaterial for Diverse Applications

Ding, ChenDi,Tong, Ling,Fu, JiaJun

supporting information, p. 15041 - 15045 (2017/10/31)

Novel quadruple stimuli-responsive mechanized silica nanoparticles were constructed by installation of supramolecular nanovalves onto the exterior surface of mesoporous silica nanoparticles. The release of cargo molecules is triggered by acid/Zn2+/alkali/reduction potential stimuli. This has potential application in the development of drug delivery systems or construction of smart anticorrosion coatings.

Synthesis, biological evaluation of 9-N-substituted berberine derivatives as multi-functional agents of antioxidant, inhibitors of acetylcholinesterase, butyrylcholinesterase and amyloid-β aggregation

Shan, Wen-Jun,Huang, Ling,Zhou, Qi,Meng, Fan-Chao,Li, Xing-Shu

experimental part, p. 5885 - 5893 (2012/01/04)

A series of 9-N-substituted berberine derivatives were synthesized and biologically evaluated as antioxidant and inhibitors of acetylcholinesterase (AChE), butyrylcholinesterase and amyloid-β aggregation. Most of these compounds exhibited very good antioxidant activities, inhibitive activities of AChE and amyloid-β aggregation. Among them, compound 8d, (o-methylphenethyl)amino linked at the 9-position of berberine, was found to be a good antioxidant (with 4.05 μM of Trolox equivalents), potent inhibitor of AChE (an IC50 value of 0.027 μM), and high active inhibitor of amyloid-β aggregation (an IC50 value of 2.73 μM).

NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS

-

Page/Page column 181-182, (2008/06/13)

The present invention relates to certain novel compounds of the formula (I) to processes for preparing such compounds, to their the utility in modulation of nuclear hormone receptors Liver X Receptor (LXR) α (NR1H3) and/or β (NR1H2) and in treating and/or preventing clinical conditions including cardiovascular diseases such as atherosclerosis; inflammatory diseases, Alzheimer's disease, lipid disorders (dyslipidemias) whether or not associated with insulin resistance, type 2 diabetes and other manifestations of the metabolic syndrome, to methods for their therapeutic use and to pharmaceutical compositions containing them.

Imidazole compounds

-

, (2008/06/13)

A novel class of imidazo heterocyclic compounds, pharmaceutical compositions comprising them and use thereof in the treatment and/or prevention of diseases and disorders related to the histamine H3 receptor. More particularly, the compounds are useful for the treatment and/or prevention of diseases and disorders in which an interaction with the histamine H3 receptor is beneficial.

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