1,4,7-Triazonane

Basic Information

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CAS Number

56491-86-2

Molecular Formula

C6H15N3

Molecular Weight

303.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

572.9°C at 760 mmHg

Density

1.321

Flash Point

300.3°C

Refractive Index

1.531

SMILES

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C1CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O

InChI

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

InChIKey

ITWBWJFEJCHKSN-UHFFFAOYSA-N

LogP

-1.840199999999995

Topological Polar Surface Area

121.62000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

320

Synonyms & References

English

BDBM50452815
FT-0699859
T3910
AKOS016035272
1,4,7-triazacyclononane-n,n',n'-triacetic acid
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CHEMBL2005280
BP-27907
1H-1,7-Triazonine-1,4,7-triacetic acid, octahydro-
NSC696860
SCHEMBL173508
A902686
EX-A8277E
Z3235067151
DTXSID60205034
2,2',2''-(1,4,7-triazonane-1,4,7-triyl)triacetic acid
BS-46783
1,4,7-tricarboxymethyl-1,4,7-triazacyclononane
NSC-696860
Hexahydro-1H-1,4,7-triazonine-1,4,7-triacetic acid
HY-134418
s6923
2,2',2''-(1,4,7-triazonane-1,4,7-triyl)triaceticacid
E78085
CS-0142067
NOTA
MFCD00137938
56491-86-2
67Ga-9N3
JHALWMSZGCVVEM-UHFFFAOYSA-N
1,4,7-Triazacyclononane-N,N',N''-triacetic acid

MDL Number

MFCD00137938

FAQ

What are the physical and chemical properties of 1,4,7-Triazonane (CAS: 56491-86-2)?

1,4,7-Triazonane (CAS: 56491-86-2) is a colorless liquid with a molecular weight of approximately 96.12 g/mol. It has a high boiling point, with a solubility in water of less than 1 g/L. It is mildly reactive with strong acids and bases. It is not very volatile and is stable under normal conditions.

How is 1,4,7-Triazonane (CAS: 56491-86-2) typically synthesized?

1,4,7-Triazonane can be synthesized via the condensation of three cyanogen carbamates. The reaction is typically carried out in the presence of a base like sodium hydride, yielding a high yield of 90%. The process is known for its selectivity and efficiency.

What industries use 1,4,7-Triazonane (CAS: 56491-86-2)?

1,4,7-Triazonane (CAS: 56491-86-2) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds and in the production of polymers. It is also used in the development of sensors and in semiconductor manufacturing due to its unique chemical properties.

What precautions should be taken when handling 1,4,7-Triazonane (CAS: 56491-86-2)?

When handling 1,4,7-Triazonane (CAS: 56491-86-2), it is important to wear protective equipment such as gloves, goggles, and a lab coat. Store it in a well-ventilated area and use a fume hood during operations. In case of a spill, neutralize with an appropriate base and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed instructions.