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N-Benzyl-2-hydroxy-N，N-dimethylethanaminium chloride - ≥98%, high purity , CAS No.7221-40-1

COA

Grade & Purity:

≥98%

Cas Number: 7221-40-1
Molecular Weight: 215.72
MDL number: MFCD00040547
PubChem CID: 3014549

In stock

Item Number

N770304

Grouped product items
SKU	Size	Availability	Price
N770304-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
N770304-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$151.90
N770304-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$521.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Cholines Aralkylamines Tetraalkylammonium salts 1,2-aminoalcohols Primary alcohols Organic zwitterions Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Choline - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic nitrogen compound - Organic zwitterion - Primary alcohol - Organic salt - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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	benzyl-(2-hydroxyethyl)-dimethylazanium;chloride
INCHI	InChI=1S/C11H18NO.ClH/c1-12(2,8-9-13)10-11-6-4-3-5-7-11;/h3-7,13H,8-10H2,1-2H3;1H/q+1;/p-1
InChIKey	NUPDFKWZQURWCC-UHFFFAOYSA-M
Smiles	C[N+](C)(CCO)CC1=CC=CC=C1.[Cl-]
Isomeric SMILES	C[N+](C)(CCO)CC1=CC=CC=C1.[Cl-]
WGK Germany	3
PubChem CID	3014549
Molecular Weight	215.72

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	215.720 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	215.108 Da
Monoisotopic Mass	215.108 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	139.000
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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