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1-(1,3-benzodioxol-5-yl)-1-isopropylurea, also known as 5-Allyl-1,3-benzodioxole-5-carboxamide, is a chemical compound with the molecular formula C11H13N3O3. It is a urea derivative and is classified as a drug and pesticide intermediate. 1-(1,3-benzodioxol-5-yl)-1-isopropylurea is believed to have potential as a central nervous system stimulant and has been researched for its potential use in the treatment of various neurological and psychiatric disorders.

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  • 33095-94-2 Structure
  • Basic information

    1. Product Name: 1-(1,3-benzodioxol-5-yl)-1-isopropylurea
    2. Synonyms: 1-(1,3-benzodioxol-5-yl)-1-isopropylurea;1-(1,3-benzodioxol-5-yl)-1-propan-2-ylurea
    3. CAS NO:33095-94-2
    4. Molecular Formula: C11H14N2O3
    5. Molecular Weight: 222.24046
    6. EINECS: 251-378-0
    7. Product Categories: N/A
    8. Mol File: 33095-94-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 375.5°C at 760 mmHg
    3. Flash Point: 180.9°C
    4. Appearance: /
    5. Density: 1.286g/cm3
    6. Vapor Pressure: 7.75E-06mmHg at 25°C
    7. Refractive Index: 1.605
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-(1,3-benzodioxol-5-yl)-1-isopropylurea(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(1,3-benzodioxol-5-yl)-1-isopropylurea(33095-94-2)
    12. EPA Substance Registry System: 1-(1,3-benzodioxol-5-yl)-1-isopropylurea(33095-94-2)
  • 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: 33095-94-2(Hazardous Substances Data)

33095-94-2 Usage

Uses

Used in Pharmaceutical Industry:
1-(1,3-benzodioxol-5-yl)-1-isopropylurea is used as a drug intermediate for its potential role in the development of treatments for neurological and psychiatric disorders. Its research is focused on its potential as a central nervous system stimulant, which could be beneficial for conditions such as ADHD, depression, and other related disorders.
Used in Agrochemical Industry:
1-(1,3-benzodioxol-5-yl)-1-isopropylurea is also used as a pesticide intermediate due to its diverse chemical properties. It plays a role in the synthesis of various agrochemicals, contributing to the development of new pesticides that can be more effective and environmentally friendly.
Further research and testing are needed to fully understand the potential applications and effects of 1-(1,3-benzodioxol-5-yl)-1-isopropylurea in both the pharmaceutical and agrochemical industries.

Check Digit Verification of cas no

The CAS Registry Mumber 33095-94-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,3,0,9 and 5 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 33095-94:
(7*3)+(6*3)+(5*0)+(4*9)+(3*5)+(2*9)+(1*4)=112
112 % 10 = 2
So 33095-94-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H14N2O3/c1-7(2)13(11(12)14)8-3-4-9-10(5-8)16-6-15-9/h3-5,7H,6H2,1-2H3,(H2,12,14)

33095-94-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(1,3-benzodioxol-5-yl)-1-propan-2-ylurea

1.2 Other means of identification

Product number -
Other names 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea

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:33095-94-2 SDS

33095-94-2Relevant articles and documents

Substituted quinazolines and analogs and use thereof

-

, (2008/06/13)

The invention relates to novel quinazolines and heterocycles which are antagonists or positive modulators of AMPA receptors, and the use thereof for treating, preventing or ameliorating neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, as well as treating or ameliorating neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis, Huntington's disease, Parkinson's disease and Down's syndrome, treating, preventing or ameliorating the adverse consequences of the overstimulation of the excitatory amino acids, treating, preventing or ameliorating anxiety, psychosis, convulsions, chronic pain, glaucoma, retinitis, urinary incontinence, muscular spasm and inducing anesthesia, as well as for treating or ameliorating the adverse consequences of excitatory amino acid deficiency such as schizophrenia, myoclonus. Alzheimer's disease and malnutrition and neural maldevelopment, and as cognition and learning enhancers.

Antiinflammatory Properties of 8-Aryl-5-isopropyl-2H-1,3-dioxoloquinazolin-6(5H)-ones and -thiones

Houlihan, William J.,Cooke, George,Bochoven, Richard Van,Perrine, John,Takesue, Edward I.,Jukniewicz, E.

, p. 1110 - 1113 (2007/10/02)

A series of 8-aryl-5-isopropyl-2H-1,3-dioxoloquinazolin-6(5H)-ones and -thiones was prepared and evaluated for antiinflammatory activity.The 8-phenyl-, 8-(3-fluorophenyl)-, and 8-(4-fluorophenyl)-2H-1,3-dioxoloquinazolin-6(5H)-ones and the 8-phenyl-2H-1,3-dioxoloquinazolin-6(5H)-thione were found to exhibit activity in the range of indomethacin and proquazone.

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