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Tert-Butyl 3-aminobenzoate - 98%, high purity , CAS No.92146-82-2

COA

Grade & Purity:

≥98%

Cas Number: 92146-82-2
Molecular Weight: 193.25
MDL number: MFCD00729048
PubChem CID: 2737408
PubChem SID: 504761374

In stock

Item Number

T294493

Grouped product items
SKU	Size	Availability	Price
T294493-1g	1g	3	$28.90
T294493-5g	5g	3	$81.90
T294493-25g	25g	2	$368.90

Basic Description

Synonyms	tert-Butyl 3-aminobenzoate \| 92146-82-2 \| TERT-BUTYL-3-AMINOBENZOATE \| 1,1-dimethylethyl 3-aminobenzoate \| Benzoic acid, 3-amino-, 1,1-dimethylethyl ester \| t-butyl 3-aminobenzoate \| 3-aminobenzoic acid tert-butyl ester \| CVE73CZ65H \| DTXSID4049373 \| MFCD00729048 \| TERT-BUTY
Specifications & Purity	≥98%
Storage Temp	Protected from light,Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504761374
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761374
IUPAC Name	tert-butyl 3-aminobenzoate
INCHI	InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,12H2,1-3H3
InChIKey	YGIRNXMYJLWFLH-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)C1=CC(=CC=C1)N
Isomeric SMILES	CC(C)(C)OC(=O)C1=CC(=CC=C1)N
WGK Germany	3
PubChem CID	2737408
Molecular Weight	193.25

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2317645	Certificate of Analysis	May 22, 2023	T294493
F2317671	Certificate of Analysis	May 22, 2023	T294493
F2317622	Certificate of Analysis	May 22, 2023	T294493
F2317676	Certificate of Analysis	May 22, 2023	T294493
F2317677	Certificate of Analysis	May 22, 2023	T294493
F2317667	Certificate of Analysis	May 22, 2023	T294493

Chemical and Physical Properties

Refractive Index	1.538
Flash Point(°C)	163ºC
Boil Point(°C)	309.2ºC at 760 mmHg
Melt Point(°C)	76-78 °C
Molecular Weight	193.240 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	193.11 Da
Monoisotopic Mass	193.11 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	208.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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