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3-(1-Amino-ethyl)-benzoic acid methyl ester, also known as N-ethylethanolamine benzoate, is a chemical compound with the molecular formula C10H13NO2. It is an ester derivative of benzoic acid characterized by its antioxidant and anti-inflammatory properties, which positions it as a promising candidate for the development of therapeutic agents and a valuable intermediate in organic synthesis and drug development research.

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  • 153994-69-5 Structure
  • Basic information

    1. Product Name: 3-(1-Amino-ethyl)-benzoic acid methyl ester
    2. Synonyms: 3-(1-Amino-ethyl)-benzoic acid methyl ester;METHYL 3-(1-AMINOETHYL)BENZOATE
    3. CAS NO:153994-69-5
    4. Molecular Formula: C10H13NO2
    5. Molecular Weight: 179.21572
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 153994-69-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 278.1±23.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.089±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C(protect from light)
    8. Solubility: N/A
    9. PKA: 8.78±0.10(Predicted)
    10. CAS DataBase Reference: 3-(1-Amino-ethyl)-benzoic acid methyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(1-Amino-ethyl)-benzoic acid methyl ester(153994-69-5)
    12. EPA Substance Registry System: 3-(1-Amino-ethyl)-benzoic acid methyl ester(153994-69-5)
  • 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: 153994-69-5(Hazardous Substances Data)

153994-69-5 Usage

Uses

Used in Pharmaceutical Industry:
3-(1-Amino-ethyl)-benzoic acid methyl ester is used as a starting material for the synthesis of pharmaceuticals due to its versatile chemical structure and functional groups that can be further modified to create a variety of medicinal compounds.
Used in Organic Synthesis:
In the field of organic synthesis, 3-(1-Amino-ethyl)-benzoic acid methyl ester serves as a key intermediate, facilitating the creation of a wide range of organic compounds for various applications, including but not limited to, the development of new drugs, agrochemicals, and specialty chemicals.
Used in Drug Development Research:
3-(1-Amino-ethyl)-benzoic acid methyl ester is utilized in drug development research for its potential to be transformed into therapeutic agents with antioxidant and anti-inflammatory properties, making it a candidate for treating various medical conditions that involve oxidative stress and inflammation.

Check Digit Verification of cas no

The CAS Registry Mumber 153994-69-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,3,9,9 and 4 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 153994-69:
(8*1)+(7*5)+(6*3)+(5*9)+(4*9)+(3*4)+(2*6)+(1*9)=175
175 % 10 = 5
So 153994-69-5 is a valid CAS Registry Number.

153994-69-5SDS

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 Methyl 3-(1-aminoethyl)benzoate

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:153994-69-5 SDS

153994-69-5Relevant articles and documents

INHIBITORS OF KINASE ACTIVITY

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Page/Page column 97, (2008/12/05)

The present invention relates to pyridines or pyrazines that inhibit kinases. In particular the compounds of the invention inhibit members of the class III PTK receptor family such as FMS (CSF-IR), c-KIT, PDGFRβ, PDGFRα or FLT3 and KDR, SRC, EphA2, EphA3, EphA8, FLTl, FLT4, HCK, LCK, PTK5 (FRK), SYK, DDRl and DDR2 and RET. The compounds of the invention are useful in the treatment of kinase associated diseases such as immunological and inflammatory diseases; hyperproliferative diseases including cancer and diseases involving neo-angiogenesis; renal and kidney diseases; bone remodeling diseases; metabolic diseases; and vascular diseases.

NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES

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Page/Page column 74, (2010/11/27)

The present invention relates to a compound represented by Formula [I] or a pharmaceutically acceptable salt or ester thereof: wherein: X1, X2, X3, and X4, which may be identical or different, are each C or N, provided that none to two of X1, X2, X3, and X4 is/are N; Y is CH or N; R1, R1', R2, R2', R3, R3', R4, and R4', which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R5 is a hydrogen atom or a methyl group; R6 and R7, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R8 and R8', which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R9 is an aryl group or a heteroaryl group which may be substituted; and n is an integer from 1 to 3, and a PLK1 inhibitor or an anticancer agent containing the same.

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