CAS 294-80-4 1,5,9-Triazacyclododecane - Materials / Alfa Chemistry

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1,5,9-Triazacyclododecane

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Catalog Number

ACM294804-1

CAS Number

294-80-4

Product Name

1,5,9-Triazacyclododecane

Structure

Category

Macrocycles; Supramolecular Host Materials

Synonyms

4,8,12-Triazacyclododecan

IUPAC Name

1,5,9-triazacyclododecane

Molecular Weight

171.28

Molecular Formula

C9H21N3

Canonical SMILES

C1CNCCCNCCCNC1

InChI

VQFZKDXSJZVGDA-UHFFFAOYSA-N

InChI Key

InChI=1S/C9H21N3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h10-12H,1-9H2

Boiling Point

77-78 °C at 3 mmHg-lit.

Melting Point

32-35 °C-lit.

Complexity

70.8

Covalently-Bonded Unit Count

Exact Mass

171.173547683

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

171.173547683

Rotatable Bond Count

Topological Polar Surface Area

36.1 Å²

MSDS

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COA

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Spec Sheet

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