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Hexyl 6-Aminohexanoate p-Toluenesulfonate - 98%, high purity , CAS No.1926-86-9

COA

Grade & Purity:

≥98%

Cas Number: 1926-86-9
Molecular Weight: 387.54
MDL number: MFCD00059852
PubChem CID: 44630052
PubChem SID: 488201050

In stock

Item Number

H157043

Grouped product items
SKU	Size	Availability	Price
H157043-1g	1g	5	$18.90
H157043-5g	5g	5	$70.90
H157043-25g	25g	1	$316.90

Discover Hexyl 6-Aminohexanoate p-Toluenesulfonate by Aladdin Scientific in 98% for only $18.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	BAA92686 \| AS-72373 \| 4-Methylbenzene-1-sulfonic acid--hexyl 6-aminohexanoate (1/1) \| 6-AMINO-N-HEXANOIC ACID N-HEXYL ESTER P-TOLUENESULFONATE \| 4-methylbenzene-1-sulfonic acid; hexyl 6-aminohexanoate \| Hexyl 6-aminohexanoate 4-methylbenzenesulfonate \| T7
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	p-Methylbenzenesulfonates
Alternative Parents	Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Fatty acid esters Sulfonyls Organosulfonic acids Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Not available
Substituents	P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Fatty acid ester - Toluene - Fatty acyl - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
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	488201050
IUPAC Name	hexyl 6-aminohexanoate;4-methylbenzenesulfonic acid
INCHI	InChI=1S/C12H25NO2.C7H8O3S/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey	RVALTWBPTNLNAV-UHFFFAOYSA-N
Smiles	CCCCCCOC(=O)CCCCCN.CC1=CC=C(C=C1)S(=O)(=O)O
Isomeric SMILES	CCCCCCOC(=O)CCCCCN.CC1=CC=C(C=C1)S(=O)(=O)O
PubChem CID	44630052
Molecular Weight	387.54

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
C2318583	Certificate of Analysis	Feb 10, 2023	H157043
C2318582	Certificate of Analysis	Feb 10, 2023	H157043
C2318571	Certificate of Analysis	Feb 10, 2023	H157043
C2318073	Certificate of Analysis	Feb 10, 2023	H157043
C2318056	Certificate of Analysis	Feb 10, 2023	H157043
C2318584	Certificate of Analysis	Feb 10, 2023	H157043

Chemical and Physical Properties

Solubility	Soluble in water; Soluble in Methanol
Melt Point(°C)	96 °C
Molecular Weight	387.500 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	387.208 Da
Monoisotopic Mass	387.208 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	355.000
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	2

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