2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine

Basic Information

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CAS Number

68941-06-0

Molecular Formula

C16H25NO6

Molecular Weight

327.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

53-58 ºC

Boiling Point

511.9°C at 760 mmHg

Density

1.099

Flash Point

284.1°C

Refractive Index

1.48

Vapor Pressure

0.0±1.3 mmHg at 25°C

SMILES

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C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1

InChI

InChI=1S/C16H25NO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12,17H2

InChIKey

PZXYILUXRGTFGD-UHFFFAOYSA-N

LogP

1.1063999999999996

Topological Polar Surface Area

81.40000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

294

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

FT-0617555
SCHEMBL1247565
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
(BENZO-18-CROWN-6)-4-YLAMINE
(Benzo-18-crown-6)-4'-ylamine
4'-Aminobenzo-18-crown-6, technical
4'-Aminobenzo-18-crown-6, 97%
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine
MFCD00210009
A922906
SR-01000390241
4'-Aminobenzo-18-crown-6
68941-06-0
F76330
CS-0203386
205504-06-9
STR04409
AKOS001586895
DTXSID80942732
2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecin-18-amine
CHEMBL1622600
SR-01000390241-1
2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine
(BENZO-18-CROWN-6)-4'-YLAMINE
2,3,5,6,8,9,11,12,14,15-DECAHYDRO-1,4,7,10,13,16-BENZOHEXAOXXACYCLO-OCTADECIN-18-AMINE HYDROCHLORIDE
3-amino-benzo-18-crown-6
4'-aminobenzo 18-crown-6 ether
4'-aminobenzo-[18-crown-6]
NH2-benzyl-18-crown-6 ether

MDL Number

MFCD00210009

FAQ

What are the physical and chemical properties of 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine (CAS: 68941-06-0)?

2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine (CAS: 68941-06-0) is a white crystalline solid with a molecular weight of approximately 548.67 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetonitrile. Chemically, it is quite stable but may react with strong acids. It is not flammable and does not have a significant reactivity under normal conditions.

How is 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine (CAS: 68941-06-0) typically synthesized?

2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine (CAS: 68941-06-0) can be synthesized through a multistep process involving the condensation of appropriate alcohols and subsequent functionalization. Commonly, a key step involves the use of a palladium catalyst for the cross-coupling reaction, leading to high selectivity and yield.

What industries use 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine (CAS: 68941-06-0)?

2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine (CAS: 68941-06-0) is primarily used in the pharmaceutical industry for its potential as a bioactive compound. It is also utilized in the polymer industry for its unique properties, and in the sensor and semiconductor industries for its electronic and optical characteristics.

What precautions should be taken when handling 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine (CAS: 68941-06-0)?

When handling 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-amine (CAS: 68941-06-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be managed using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed safety information.