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2-(1,4-Diazepan-1-yl)-5-methyl[1,3]oxazolo[4,5-b]pyridine - ≥95% , CAS No.1035840-54-0

2-(1,4-Diazepan-1-yl)-5-methyl[1,3]oxazolo[4,5-b]pyridine - ≥95% , CAS No.1035840-54-0

Name: 2-(1,4-Diazepan-1-yl)-5-methyl[1,3]oxazolo[4,5-b]pyridine - ≥95% , CAS No.1035840-54-0
Brand: Aladdin Scientific
SKU: D1061115
Availability: InStock

CAS: 1035840-54-0 Cat. No.: D1061115 Molecular Weight: 232.29 PubChem CID: 25219112

COA

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2-(1,4-Diazepan-1-yl)-5-methyl[1,3]oxazolo[4,5-b]pyridine - ≥95% CAS No(1035840-54-0) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

Canonical Smiles	CC1=NC2=C(C=C1)OC(=N2)N3CCCNCC3
IUPAC Name	2-(1,4-diazepan-1-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine
InChIKey	HLUSEEWUHPAITI-UHFFFAOYSA-N
INCHI	1S/C12H16N4O/c1-9-3-4-10-11(14-9)15-12(17-10)16-7-2-5-13-6-8-16/h3-4,13H,2,5-8H2,1H3
Isomeric SMILES	CC1=NC2=C(C=C1)OC(=N2)N3CCCNCC3
PubChem CID	25219112
Molecular Weight	232.29

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxazolopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazolopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxazolopyridines
Alternative Parents	Dialkylarylamines Methylpyridines 1,4-diazepanes Oxazoles Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-oxazolopyridine - Dialkylarylamine - 1,4-diazepane - Diazepane - Methylpyridine - Pyridine - Heteroaromatic compound - Oxazole - Azole - Azacycle - Secondary amine - Secondary aliphatic amine - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oxazolopyridines. These are polycyclic compounds containing an oxazole ring fused to a pyridine 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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	232.280 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	232.132 Da
Monoisotopic Mass	232.132 Da
Topological Polar Surface Area	54.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	263.000
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

Solution Calculators

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Reviews

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