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tert-Butyl 4-amino-3-methylbenzoate - 95%, high purity

COA

Grade & Purity:

≥95%

PubChem CID: 53432587

In stock

Item Number

T195922

Grouped product items
SKU	Size	Availability	Price	Qty
T195922-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
T195922-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90

Basic Description

Synonyms	TERT-BUTYL 4-AMINO-3-METHYLBENZOATE \| 934481-43-3 \| TERT-BUTYL4-AMINO-3-METHYLBENZOATE \| MFCD08703398 \| SCHEMBL1028144 \| DTXSID10700584 \| HFMIRAQWPTZEAH-UHFFFAOYSA-N \| AKOS010133318 \| SB78088 \| AS-30667 \| SY104908 \| CS-0144922 \| FT-0760623 \| 4-amino-3-methylbenzoic acid tert-butyl
Specifications & Purity	≥95%
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 Aminotoluenes Carboxylic acid esters Amino 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 - Aminotoluene - Toluene - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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

IUPAC Name	tert-butyl 4-amino-3-methylbenzoate
INCHI	InChI=1S/C12H17NO2/c1-8-7-9(5-6-10(8)13)11(14)15-12(2,3)4/h5-7H,13H2,1-4H3
InChIKey	HFMIRAQWPTZEAH-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)C(=O)OC(C)(C)C)N

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.270 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	207.126 Da
Monoisotopic Mass	207.126 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	232.000
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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