3-(2-Aminoethyl)-1H-1,2,4-triazol-5-amine dihydrochloride - ≥98% , CAS No.99839-36-8

CAS: 99839-36-8 Cat. No.: A1325099 Peso molecular: 200.07 PubChem CID: 44118585
Disponible para pedir
GRADE & PURITY ≥98%
Storage
Room temperature
Shipped In
Normal
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Size
Estado
Price
Qty
1g
A1325099-1g
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81,90US$
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Why this grade

≥98% 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

Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC(CN)C1=NC(=NN1)N.Cl.Cl
IUPAC Name5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine;dihydrochloride
InChIKeyWNKJGECUPKBBPV-UHFFFAOYSA-N
INCHI1S/C4H9N5.2ClH/c5-2-1-3-7-4(6)9-8-3;;/h1-2,5H2,(H3,6,7,8,9);2*1H
Isómeros SMILES C(CN)C1=NC(=NN1)N.Cl.Cl
PubChem CID 44118585
Peso molecular 200.07

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClaseOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Not available
Direct ParentAralkylamines
Alternative Parents Triazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organic zwitterions  Organic chloride salts  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aralkylamine - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular200.070 g/mol
XLogP3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass199.039 Da
Monoisotopic Mass199.039 Da
Topological Polar Surface Area93.600 Ų
Heavy Atom Count11
Formal Charge0
Complexity85.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count3
Calculadoras de soluciones
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