Broxaterol , CAS No.76596-57-1

CAS: 76596-57-1 Cat. No.: B355148 Molecular Weight: 263.13
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Synonyms
BCP20216 | Z 1170;Z-1170;Z1170 | BDBM86449 | DTXSID20868402 | Histametizine | 1-(3-bromo-1,2-oxazol-5-yl)-2-(tert-butylamino)ethan-1-ol | Q4976876 | Z1269230753 | (+-)-3-Bromo-alpha-((tert-butylamino)methyl)-5-isoxazolemethanol | AKOS022666091 | EINECS 27
Storage
Room temperature
Shipped In
Normal
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Status
Price
Qty
10mg
B355148-10mg
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
BCP20216 | Z 1170;Z-1170;Z1170 | BDBM86449 | DTXSID20868402 | Histametizine | 1-(3-bromo-1, 2-oxazol-5-yl)-2-(tert-butylamino)ethan-1-ol | Q4976876 | Z1269230753 | (+-)-3-Bromo-alpha-((tert-butylamino)methyl)-5-isoxazolemethanol | AKOS022666091 | EINECS 27
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesCC(C)(C)NCC(C1=CC(=NO1)Br)O
IUPAC Name1-(3-bromo-1,2-oxazol-5-yl)-2-(tert-butylamino)ethanol
InChIKeyJBRBWHCVRGURBA-UHFFFAOYSA-N
INCHI1S/C9H15BrN2O2/c1-9(2,3)11-5-6(13)7-4-8(10)12-14-7/h4,6,11,13H,5H2,1-3H3
Isomeric SMILES CC(C)(C)NCC(C1=CC(=NO1)Br)O
Molecular Weight 263.13
Reaxy-Rn 4678077
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4678077&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Not available
Direct ParentAralkylamines
Alternative Parents Aryl bromides  Isoxazoles  Heteroaromatic compounds  Secondary alcohols  1,2-aminoalcohols  Oxacyclic compounds  Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Organobromides  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aralkylamine - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Oxacycle - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Aromatic alcohol - Alcohol - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight263.130 g/mol
XLogP31.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass262.032 Da
Monoisotopic Mass262.032 Da
Topological Polar Surface Area58.300 Ų
Heavy Atom Count14
Formal Charge0
Complexity184.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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