CAS 4730-54-5 1,4,7-Triazacyclononane - Materials / Alfa Chemistry

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1,4,7-Triazacyclononane

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Catalog Number

ACM4730545-1

CAS Number

4730-54-5

Product Name

1,4,7-Triazacyclononane

Structure

Category

Macrocycles; Supramolecular Host Materials; Polymerization Reagents

Synonyms

1,4,7-Triazonane; 1H-1,4,7-Triazonine, octahydro-

IUPAC Name

1,4,7-triazonane

Molecular Weight

129.20

Molecular Formula

C6H15N3

Canonical SMILES

C1CNCCNCCN1

InChI

ITWBWJFEJCHKSN-UHFFFAOYSA-N

InChI Key

InChI=1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2

Boiling Point

254.1 °C at 760 mmHg

Melting Point

42-45 °C -lit.

Purity

96%

Appearance

White to light yellow solid

Storage

2-8°C

Complexity

45.1

Covalently-Bonded Unit Count

Exact Mass

129.126597491

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

129.126597491

NSC Number

681101

Rotatable Bond Count

Topological Polar Surface Area

36.1 Å²

UNII

2UIF93C5H3

MSDS

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COA

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Spec Sheet

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