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CAS

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449756-97-2

2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine, commonly known as Trazodone, is a psychoactive drug characterized by its ability to act as a serotonin antagonist and reuptake inhibitor. 2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine is primarily utilized in the treatment of depression, where it helps to regulate serotonin levels in the brain, thereby potentially improving mood and overall well-being.

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  • 449756-97-2 Structure

  • Basic information

    1. Product Name: 2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine
    2. Synonyms: CHEMBRDG-BB 4010904;BENZENEMETHANAMINE, 2-(1H-1,2,4-TRIAZOL-1-YL)-;AKOS B033749;2-[1,2,4]TRIAZOL-1-YL-BENZYLAMINE;2-[(1-1,2,4-Triazolyl)]benzenemethanamine;1-[2-(1H-1,2,4-Triazol-1-yl)phenyl]methanamine;2-(1H-1,2,4-triazol-1-yl)benzenemethanamine;1-(4-METHYLBENZYL)-1H-1,2,4-TRIAZOLE
    3. CAS NO:449756-97-2
    4. Molecular Formula: C9H10N4
    5. Molecular Weight: 174.2
    6. EINECS: 1312995-182-4
    7. Product Categories: API intermediates
    8. Mol File: 449756-97-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 375.863 °C at 760 mmHg
    3. Flash Point: 181.116 °C
    4. Appearance: /
    5. Density: 1.268 g/cm3
    6. Vapor Pressure: 7.55E-06mmHg at 25°C
    7. Refractive Index: 1.663
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine(449756-97-2)
    12. EPA Substance Registry System: 2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine(449756-97-2)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36
    3. Safety Statements: 26
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 449756-97-2(Hazardous Substances Data)

449756-97-2 Usage

Uses

Used in Pharmaceutical Industry:
2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine is used as an antidepressant medication for the treatment of depression. It functions by modulating serotonin levels in the brain, which can lead to enhanced mood and general well-being for patients suffering from depressive disorders.
Additionally, it is used as a treatment for anxiety and insomnia:
2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine is also utilized as a therapeutic agent for anxiety and insomnia due to its mood-regulating properties, which can help alleviate symptoms associated with these conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 449756-97-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,4,9,7,5 and 6 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 449756-97:
(8*4)+(7*4)+(6*9)+(5*7)+(4*5)+(3*6)+(2*9)+(1*7)=212
212 % 10 = 2
So 449756-97-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H10N4/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H,5,10H2

449756-97-2SDS

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 [2-(1,2,4-triazol-1-yl)phenyl]methanamine

1.2 Other means of identification

Product number -
Other names -

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:449756-97-2 SDS

449756-97-2Relevant articles and documents

Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors

Young, Mary Beth,Barrow, James C.,Glass, Kristen L.,Lundell, George F.,Newton, Christina L.,Pellicore, Janetta M.,Rittle, Kenneth E.,Selnick, Harold G.,Stauffer, Kenneth J.,Vacca, Joseph P.,Williams, Peter D.,Bohn, Dennis,Clayton, Franklin C.,Cook, Jacquelynn J.,Krueger, Julie A.,Kuo, Lawrence C.,Lewis, S. Dale,Lucas, Bobby J.,McMasters, Daniel R.,Miller-Stein, Cynthia,Pietrak, Beth L.,Wallace, Audrey A.,White, Rebecca B.,Wong, Bradley,Yan, Youwei,Nantermet, Philippe G.

, p. 2995 - 3008 (2007/10/03)

In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P1 region. Various benzylamines were coupled to a pyridine/pyrazinone P2-P 3 template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin Ki of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertaken and subsequently demonstrated that the o-triazole and tetrazole rings were optimal. Combination of these potent P1 aryl heterocycles with a variety of P2-P3 groups produced a compound with an extraordinary thrombin inhibitory activity of 1.4 pM. It is hoped that this potency enhancement in P1 will allow for more diversification in the P 2-P3 region to ultimately address additional pharmacological concerns.

Thrombin inhibitors

-

, (2008/06/13)

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: wherein R1 is, for example, hydrogen, Cl, or cyano, and R2 is, for example, hydrogen,

Thrombin inhibitors

-

, (2008/06/13)

Compounds of the invention are useful in inhibiting thrombin and treating blood coagulation and cardiovascular disorders and have the following structure: wherein R3 is hydrogen or halogen, and u is N or CH.

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