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O-Benzoyl-N-tert-butylhydroxylamine Hydrochloride - >98.0%(HPLC)(N), high purity , CAS No.66809-86-7

COA

Grade & Purity:

≥98%(HPLC)(N)

Cas Number: 66809-86-7
Molecular Weight: 229.7
PubChem CID: 12439863

In stock

Item Number

O159947

Grouped product items
SKU	Size	Availability	Price
O159947-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
O159947-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90
O159947-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$185.90

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Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	(tert-butylamino) benzoate;hydrochloride \| [(tert-Butylamino)oxy](phenyl)methanone--hydrogen chloride (1/1) \| O-Benzoyl-N-(tert-butyl)hydroxylamine hydrochloride \| O-Benzoyl-N-tert-butylhydroxylamine Hydrochloride \| SB80384 \| MFCD08705299 \| CS-0454743 \| O
Specifications & Purity	≥98%(HPLC)(N)
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 acids and derivatives
Alternative Parents	Benzoyl derivatives Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid or derivatives - Benzoyl - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
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-butylamino) benzoate;hydrochloride
INCHI	InChI=1S/C11H15NO2.ClH/c1-11(2,3)12-14-10(13)9-7-5-4-6-8-9;/h4-8,12H,1-3H3;1H
InChIKey	UAYHNCIDRZTSPO-UHFFFAOYSA-N
Smiles	CC(C)(C)NOC(=O)C1=CC=CC=C1.Cl
Isomeric SMILES	CC(C)(C)NOC(=O)C1=CC=CC=C1.Cl
Molecular Weight	229.7
Reaxy-Rn	5137987
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5137987&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	187°C(lit.)
Molecular Weight	229.700 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	229.087 Da
Monoisotopic Mass	229.087 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	190.000
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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