CAS 294-90-6|Cyclen

Introduction：Basic information about CAS 294-90-6|Cyclen, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Cyclen BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles31
8. Synonyms

Common Name	Cyclen
CAS Number	294-90-6	Molecular Weight	172.27
Density	0.9±0.1 g/cm3	Boiling Point	283.8±8.0 °C at 760 mmHg
Molecular Formula	C₈H₂₀N₄	Melting Point	110-113 °C(lit.)
MSDS	ChineseUSA	Flash Point	129.5±13.5 °C
Symbol	GHS05, GHS07, GHS09	Signal Word	Danger

Names

Name	1,4,7,10-tetraazacyclododecane
Synonym	More Synonyms

Cyclen BiologicalActivity

Description	Cyclen is the aza analogue of crown ether, used as a precursor for MRI contrast agents, and is an intermediate for the preparation of effective macrocyclic chelates[1].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
References	[1]. Rashid HU, et al. Cyclen-based Gd3+ complexes as MRI contrast agents: Relaxivity enhancement and ligand design. Bioorg Med Chem. 2016 Nov 15;24(22):5663-5684.

Chemical & Physical Properties

Density	0.9±0.1 g/cm3
Boiling Point	283.8±8.0 °C at 760 mmHg
Melting Point	110-113 °C(lit.)
Molecular Formula	C₈H₂₀N₄
Molecular Weight	172.27
Flash Point	129.5±13.5 °C
Exact Mass	172.168793
PSA	48.12000
LogP	-2.34
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.424
InChIKey	QBPPRVHXOZRESW-UHFFFAOYSA-N
SMILES	C1CNCCNCCNCCN1
Storage condition	Refrigerator

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XA5253000

CHEMICAL NAME :: 1,4,7,10-Tetraazacyclododecane

CAS REGISTRY NUMBER :: 294-90-6

BEILSTEIN REFERENCE NO. :: 0606114

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H20-N4

MOLECULAR WEIGHT :: 172.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 388 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NATWAY Naturwissenschaften. (Springer-Verlag, Heidelberger Platz 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.1- 1913- Volume(issue)/page/year: 70,201,1983

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 435 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 19,425,1984

Safety Information

Symbol	GHS05, GHS07, GHS09
Signal Word	Danger
Hazard Statements	H302-H312-H314-H410
Precautionary Statements	P273-P280-P305 + P351 + P338-P310-P501
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/38
Safety Phrases	S26-S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	XA5253000
Packaging Group	I; II; III
HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles31

Discovery of new small molecules that influence neuroblast cell migration from the subventricular zone.

Bioorg. Med. Chem. Lett. 18 , 169-74, (2008)

Using SVZ (subventricular zone) tissue explants from one-day-old mice, we investigated the activity of new amino aromatic disulfide analogues and polyazamacrocycles on the migration of SVZ cells (neur...

Monopicolinate cyclen and cyclam derivatives for stable copper(II) complexation.

Inorg. Chem. 51(12) , 6916-27, (2012)

The syntheses of a new 1,4,7,10-tetraazacyclododecane (cyclen) derivative bearing a picolinate pendant arm (HL1), and its 1,4,8,11-tetraazacyclotetradecane (cyclam) analogue HL2, were achieved by usin...

Copper and cobalt complexes of octadentate azamacrocycles: spectrophotometric titration, stopped-flow kinetics and crystallographic study.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 83(1) , 525-31, (2011)

Details of complex formation kinetics are reported for tetrakis(2-hydroxyethyl) substituted cyclen (L(1)) and cyclam (L(2)) with Cu(II) and Co(II). Stopped-flow kinetics and spectroscopic titration me...

Synonyms

Tetraaza-12-crown-4

T-12-M DM GM JMTJ

Cyclen

1,4,7,10-tetrazacyclododecane

MFCD00066281

1,4,7,10-Tetraazacyclododecane

5-26-11-00023 (Beilstein Handbook Reference)

[12]aneN4

1,4,7,12-tetraazacyclodedecane

EINECS 202-928-3

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