1,4,7-Triazacyclononane - ≥98% , CAS No.4730-54-5

Name: 1,4,7-Triazacyclononane - ≥98% , CAS No.4730-54-5
Brand: Aladdin Scientific
SKU: T162094
Availability: InStock

CAS: 4730-54-5 Cat. No.: T162094 Molecular Weight: 129.21 Beilstein Registry Number: 773877 EC Number: 637-157-5 PubChem CID: 188318

1 Citations COA

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1,4,7-Triazacyclononane - ≥98% CAS No(4730-54-5) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

A possible reagent for compleximetric titrations with high cation-binding selectivity

Specifications

Synonyms

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Canonical Smiles	C1CNCCNCCN1
IUPAC Name	1,4,7-triazonane
InChIKey	ITWBWJFEJCHKSN-UHFFFAOYSA-N
INCHI	1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2
Isomeric SMILES	C1CNCCNCCN1
WGK Germany	3
PubChem CID	188318
Molecular Weight	129.21
Beilstein	773877
Reaxy-Rn	773877

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 Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Secondary amines
        Level6 Dialkylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Secondary amines
Direct Parent	Dialkylamines
Alternative Parents	Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
External Descriptors	azacycloalkane - saturated organic heteromonocyclic parent - crown amine
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

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
F2609509	Certificate of Analysis	Jun 11, 2026	T162094
F2609510	Certificate of Analysis	Jun 11, 2026	T162094
A2416709	Certificate of Analysis	Dec 20, 2023	T162094
A2416710	Certificate of Analysis	Dec 20, 2023	T162094
A2416711	Certificate of Analysis	Dec 20, 2023	T162094
A2416724	Certificate of Analysis	Dec 20, 2023	T162094
A2416725	Certificate of Analysis	Dec 20, 2023	T162094
A2416726	Certificate of Analysis	Dec 20, 2023	T162094
B2602101	Certificate of Analysis	Dec 20, 2023	T162094
H2519085	Certificate of Analysis	Dec 20, 2023	T162094

Solubility	Soluble in water
Sensitivity	Moisture Sensitive；Heat Sensitive
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Boil Point(°C)	113°C/7mmHg(lit.)
Melt Point(°C)	45°C(lit.)
Molecular Weight	129.199 g/mol
XLogP3	-1.900
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	129.127 Da
Monoisotopic Mass	129.127 Da
Topological Polar Surface Area	36.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	45.100
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