1,4,7,10,13,16-Hexaazacyclooctadecane

Basic Information

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CAS Number

296-35-5

Molecular Formula

C12H30N6

Molecular Weight

258.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

147-152 °C

Boiling Point

449.8 °C at 760 mmHg

Flash Point

243.9 °C

Refractive Index

1.424

SMILES

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C1CNCCNCCNCCNCCNCCN1

InChI

InChI=1S/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2

InChIKey

RVJABZUDCPZPPM-UHFFFAOYSA-N

LogP

-2.4623999999999953

Topological Polar Surface Area

72.17999999999999 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

108

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AM85706
1,4,7,10,13,16-Hexaazacyclooctadecane
Hexacyclen
HY-W034566
AKOS015854527
IPS109
BCP33509
EINECS 206-042-8
DTXSID70183778
A819982
AS-63193
NS00028738
hexaaza-18-crown-6
296-35-5
CS-0085846
1,4,7,10,13,16-hexaaza-cyclooctadecane
D91002
1,4,7,10,13,16-hexazacyclooctadecane
H1070
Hexacyclen, >=97.0% (NT)
SCHEMBL576335
FT-0655479
1, 4, 7, 10, 13, 16-hexazacyclooctadecane
RVJABZUDCPZPPM-UHFFFAOYSA-N
J-017584
AMOT0368
AB0138055
Hexaaza-18-crown-6

MDL Number

MFCD00042750

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1,4,7,10,13,16-Hexaazacyclooctadecane (CAS: 296-35-5)?

1,4,7,10,13,16-Hexaazacyclooctadecane (CAS: 296-35-5) is a colorless solid with a crystalline structure. It has a molecular weight of approximately 296.35 g/mol. The compound is poorly soluble in water but soluble in organic solvents like methanol and ethanol. It is highly reactive, particularly towards nucleophilic substitution reactions, making it a versatile reagent in organic synthesis.

How is 1,4,7,10,13,16-Hexaazacyclooctadecane (CAS: 296-35-5) typically synthesized?

1,4,7,10,13,16-Hexaazacyclooctadecane (CAS: 296-35-5) can be synthesized by the condensation of appropriate amines under basic conditions. Common synthesis methods include the use of amines such as ethylenediamine and 1,3-diaminopropane. The reaction typically involves a multi-step process, with careful control of reagents and conditions to achieve high yield and selectivity.

What industries use 1,4,7,10,13,16-Hexaazacyclooctadecane (CAS: 296-35-5)?

1,4,7,10,13,16-Hexaazacyclooctadecane (CAS: 296-35-5) is used in various industries due to its unique chemical properties. It finds applications in pharmaceuticals for the synthesis of certain drugs, in polymers for improving material properties, in sensors for detecting specific analytes, and in semiconductors for its role in doping and annealing processes.

What precautions should be taken when handling 1,4,7,10,13,16-Hexaazacyclooctadecane (CAS: 296-35-5)?

When handling 1,4,7,10,13,16-Hexaazacyclooctadecane (CAS: 296-35-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.