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4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile is a chemical compound with the molecular formula C17H21N3. It belongs to the class of benzonitrile compounds and contains a unique spiro[5.5]undecane ring system. 4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile has potential applications in pharmaceutical and agrochemical research due to its diverse biological activities, including antipsychotic and anticonvulsant properties. Its spirocyclic structure also makes it an interesting target for synthetic chemists to study and develop new methodologies for constructing complex molecular frameworks.

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  • 352445-68-2 Structure
  • Basic information

    1. Product Name: 4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile
    2. Synonyms: 4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile
    3. CAS NO:352445-68-2
    4. Molecular Formula: C16H21N3
    5. Molecular Weight: 255.35804
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 352445-68-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile(352445-68-2)
    11. EPA Substance Registry System: 4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile(352445-68-2)
  • 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: 352445-68-2(Hazardous Substances Data)

352445-68-2 Usage

Uses

Used in Pharmaceutical Research:
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile is used as a research compound for developing new pharmaceutical agents with antipsychotic and anticonvulsant properties. Its unique structure and biological activities make it a promising candidate for the discovery of novel therapeutic agents.
Used in Agrochemical Research:
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile is used as a research compound in agrochemical research to explore its potential as a new active ingredient for pest control and crop protection. Its diverse biological activities may contribute to the development of innovative agrochemicals with improved efficacy and safety profiles.
Used in Synthetic Chemistry:
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile is used as a target compound for synthetic chemists to study and develop new methodologies for constructing complex molecular frameworks. Its spirocyclic structure offers opportunities for the synthesis of novel compounds with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 352445-68-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,5,2,4,4 and 5 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 352445-68:
(8*3)+(7*5)+(6*2)+(5*4)+(4*4)+(3*5)+(2*6)+(1*8)=142
142 % 10 = 2
So 352445-68-2 is a valid CAS Registry Number.

352445-68-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile

1.2 Other means of identification

Product number -
Other names Benzonitrile,4-(3,9-diazaspiro[5.5]undec-3-yl)

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:352445-68-2 SDS

352445-68-2Downstream Products

352445-68-2Relevant articles and documents

Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives

Wang, Hongjian,Wang, Apeng,Gu, Jian,Fu, Lei,Lv, Kai,Ma, Chao,Tao, Zeyu,Wang, Bin,Liu, Mingliang,Guo, Huiyuan,Lu, Yu

, p. 11 - 17 (2019/01/16)

A series of reduced lipophilic N-benzylic imidazo[1,2-a]pyridine carboxamides (IPAs) with various side chains were designed and synthesized as new anti-TB agents in this work. Five derivatives A2, A3, A4, B1 and B9 exhibit excellent in vitro activity (MIC: 0-∞ and Cmax than Q203 and PBTZ169, suggesting its promising potential to be a lead compound for future antitubercular drug discovery.

Spirocyclic nonpeptide glycoprotein IIb-IIIa antagonists. Part 1: Design of potent and specific 3,9-diazaspiro[5.5]undecanes

Smyth,Rose,Mehrotra,Heath,Ruhter,Schotten,Seroogy,Volkots,Pandey,Scarborough

, p. 1289 - 1292 (2007/10/03)

The synthesis and biological activity of novel glycoprotein IIb-IIIa antagonists containing the 3,9-diazaspiro[5.5]undecane nucleus are described. The potent activity of these compounds as platelet aggregation inhibitors demonstrates the utility of the spirocyclic structures as a central template for nonpeptide RGD mimics.

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