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Methyl 4-(butylamino)benzoate - ≥98%, high purity , CAS No.71839-12-8

COA

Grade & Purity:

≥98%

Cas Number: 71839-12-8
Molecular Weight: 207.27
PubChem CID: 12045722

In stock

Item Number

M726446

Grouped product items
SKU	Size	Availability	Price
M726446-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$102.90
M726446-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
M726446-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$466.90
M726446-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,634.90

View related series

Aromatic Ring Compounds (348) ester (85)

Basic Description

Synonyms	N-Butyl-4-(methoxycarbonyl)aniline
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives 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 - Phenylalkylamine - Secondary aliphatic/aromatic amine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - 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	methyl 4-(butylamino)benzoate
INCHI	InChI=1S/C12H17NO2/c1-3-4-9-13-11-7-5-10(6-8-11)12(14)15-2/h5-8,13H,3-4,9H2,1-2H3
InChIKey	IHRPJNDVWBJCEH-UHFFFAOYSA-N
Smiles	CCCCNC1=CC=C(C=C1)C(=O)OC
Isomeric SMILES	CCCCNC1=CC=C(C=C1)C(=O)OC
PubChem CID	12045722
Molecular Weight	207.27

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
K2411309	Certificate of Analysis	Oct 31, 2024	M726446
K2411311	Certificate of Analysis	Oct 31, 2024	M726446
K2411312	Certificate of Analysis	Oct 31, 2024	M726446
K2411316	Certificate of Analysis	Oct 31, 2024	M726446
K2411310	Certificate of Analysis	Oct 31, 2024	M726446
K2411313	Certificate of Analysis	Oct 31, 2024	M726446
K2411314	Certificate of Analysis	Oct 31, 2024	M726446
K2411315	Certificate of Analysis	Oct 31, 2024	M726446

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	207.270 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	207.126 Da
Monoisotopic Mass	207.126 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	186.000
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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