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(3-Carboxypropyl)trimethylammonium chloride - 98%, high purity , CAS No.6249-56-5

COA

Grade & Purity:

≥98%

Cas Number: 6249-56-5
Molecular Weight: 181.66
MDL number: MFCD00011905
PubChem CID: 22620
PubChem SID: 504753090

In stock

Item Number

B133529

Grouped product items
SKU	Size	Availability	Price
B133529-1g	1g	5	$48.90
B133529-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
B133529-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$748.90
B133529-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,693.90

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Metabolite (5307)

Basic Description

Synonyms	3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride \| y-Butyrobetaine hydrochloride \| Gama-Butyrobetaine hydrochloride \| (3-Carboxypropyl)trimethylammonium chloride \| Deoxycarnitine hydrochloride \| SCHEMBL1758660 \| A833809 \| (3-Carboxypropyl)trimethylammon
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Straight chain fatty acids
Alternative Parents	Tetraalkylammonium salts Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework	Aliphatic acyclic compounds
Substituents	Straight chain fatty acid - Quaternary ammonium salt - Tetraalkylammonium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Amine - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
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	504753090
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753090
IUPAC Name	3-carboxypropyl(trimethyl)azanium;chloride
INCHI	InChI=1S/C7H15NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H
InChIKey	GNRKTORAJTTYIW-UHFFFAOYSA-N
Smiles	C[N+](C)(C)CCCC(=O)O.[Cl-]
Isomeric SMILES	C[N+](C)(C)CCCC(=O)O.[Cl-]
WGK Germany	3
RTECS	BP3850000
Molecular Weight	181.66
Reaxy-Rn	3571970
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3571970&ln=

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
C2317408	Certificate of Analysis	Jan 09, 2025	B133529
D2403040	Certificate of Analysis	Apr 17, 2024	B133529
K2110574	Certificate of Analysis	Aug 16, 2023	B133529
K2110595	Certificate of Analysis	Aug 16, 2023	B133529
K2110640	Certificate of Analysis	Aug 16, 2023	B133529
K2110573	Certificate of Analysis	Aug 16, 2023	B133529

Chemical and Physical Properties

Sensitivity	Sensitive to humidity
Melt Point(°C)	220°C
Molecular Weight	181.660 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	181.087 Da
Monoisotopic Mass	181.087 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	115.000
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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