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Small Molecules & Compound Libraries
GI-568769 - 98%, high purity , CAS No.62001-32-5

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GI-568769 - 98%, high purity , CAS No.62001-32-5

COA

Grade & Purity:

≥98%

Cas Number: 62001-32-5
Molecular Weight: 258.71
PubChem CID: 728552
PubChem SID: 504760007

In stock

Item Number

G418434

Grouped product items
SKU	Size	Availability	Price
G418434-5mg	5mg	6	$168.90
G418434-25mg	25mg	5	$210.90
G418434-50mg	50mg	4	$292.90
G418434-100mg	100mg	4	$584.90
G418434-250mg	250mg	3	$1,020.90

Basic Description

Synonyms	SR-01000401371-1 \| N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-chloroaniline \| N-(4-Chlorophenyl)-1H-benzotriazole-1-methanamine \| CBDivE_002420 \| HMS1553A20 \| DTXSID601232064 \| SCHEMBL2490946 \| STK361338 \| (1H-1,2,3-Benzotriazol-1-ylmethyl)(4-chlorophenyl)a
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Inhibitors for p90 Ribosomal S6 Protein Kinase 2

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzotriazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzotriazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzotriazoles
Alternative Parents	Phenylalkylamines Secondary alkylarylamines Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzotriazole - Phenylalkylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Triazole - 1,2,3-triazole - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
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

Product Properties

ALogP	3.744
hba_count	2
HBD Count	1
Rotatable Bond	3

Names and Identifiers

Pubchem Sid	504760007
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760007
IUPAC Name	N-(benzotriazol-1-ylmethyl)-4-chloroaniline
INCHI	InChI=1S/C13H11ClN4/c14-10-5-7-11(8-6-10)15-9-18-13-4-2-1-3-12(13)16-17-18/h1-8,15H,9H2
InChIKey	PHAXIVPIOCGFIQ-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)N=NN2CNC3=CC=C(C=C3)Cl
Isomeric SMILES	C1=CC=C2C(=C1)N=NN2CNC3=CC=C(C=C3)Cl
Molecular Weight	258.71
Reaxy-Rn	535485
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=535485&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
F2302493	Certificate of Analysis	Apr 07, 2023	G418434
F2302492	Certificate of Analysis	Apr 07, 2023	G418434
F2302482	Certificate of Analysis	Apr 07, 2023	G418434
F2302488	Certificate of Analysis	Apr 07, 2023	G418434
F2302787	Certificate of Analysis	Apr 07, 2023	G418434
F2302481	Certificate of Analysis	Apr 07, 2023	G418434
F2302483	Certificate of Analysis	Apr 07, 2023	G418434
F2302485	Certificate of Analysis	Apr 07, 2023	G418434
F2302486	Certificate of Analysis	Apr 07, 2023	G418434
F2302484	Certificate of Analysis	Apr 07, 2023	G418434

Chemical and Physical Properties

DMSO(mM) Max Solubility	10
Molecular Weight	258.700 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	258.067 Da
Monoisotopic Mass	258.067 Da
Topological Polar Surface Area	42.700 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	268.000
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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