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1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine , CAS No.1243250-23-8

1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine , CAS No.1243250-23-8

Name: 1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine , CAS No.1243250-23-8
Brand: Aladdin Scientific
SKU: B1021864
Availability: InStock

CAS: 1243250-23-8 Cat. No.: B1021864 Molecular Weight: 245.124 PubChem CID: 51000288

COA

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1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine - CAS No(1243250-23-8) by Aladdin Scientific

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AVAILABLE TO ORDER

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

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

Storage

Room temperature

Names and Identifiers

Canonical Smiles	CN1C(=NC(=N1)Br)N2CCCCC2
IUPAC Name	1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)piperidine
InChIKey	FRIUFJGMYVKXIT-UHFFFAOYSA-N
INCHI	1S/C8H13BrN4/c1-12-8(10-7(9)11-12)13-5-3-2-4-6-13/h2-6H2,1H3
Isomeric SMILES	CN1C(=NC(=N1)Br)N2CCCCC2
PubChem CID	51000288
Molecular Weight	245.124

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.

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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

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Tertiary alkylarylamines
        Level7 Dialkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines - Tertiary alkylarylamines
Direct Parent	Dialkylarylamines
Alternative Parents	Piperidines Aryl bromides Triazoles Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dialkylarylamine - Piperidine - Aryl halide - Aryl bromide - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
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	245.120 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	244.032 Da
Monoisotopic Mass	244.032 Da
Topological Polar Surface Area	34.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172.000
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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