CAS No.10045-25-7,1,4,7,10-TETRAAZACYCLODODECANE TETRAHYDROCHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10045-25-7
Name:	1,4,7,10-TETRAAZACYCLODODECANE TETRAHYDROCHLORIDE
Article Data:	10
Cas Database

Formula:	C₈H₂₄C_l4N₄
Molecular Weight:	318.117
Synonyms:	1,4,7,10-Tetraazacyclododecane, tetrahydrochloride (9CI);
Melting Point:	297-300 °C
Boiling Point:	283.8 °C at 760 mmHg
Flash Point:	129.5 °C
Appearance:	white crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	48.12000
LogP:	2.88160

Synthetic route

: 74199-09-0, 79236-92-3
cyclen-glyoxal

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions

Conditions	Yield
With hydroxylamine hydrochloride In methanol for 36h; Heating;	87%
With hydrogenchloride; hydrazine hydrate In water pH=3 - Ca. 3.5; Solvent; Reflux;	38 g

: 52667-88-6
cyclen tetratosylate

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; sulfuric acid; Amberlyst A26 at 120℃; for 48h;	66%
Stage #1: cyclen tetratosylate With sulfuric acid at 150℃; for 1h; Stage #2: With hydrogenchloride In ethanol	48%
With hydrogenchloride; sulfuric acid 1.) 100 deg C, 48 h; Yield given. Multistep reaction;
With hydrogenchloride; sulfuric acid 1.) 100 deg C, 70 h;	7.2 g
Stage #1: cyclen tetratosylate With sulfuric acid In water at 80℃; for 24h; Stage #2: With hydrogenchloride In water

: 8b,8c-dimethyl-decahydro-2a,4a,6a,8a-tetraaza-cyclopenta[fg]acenaphthylene

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 60℃; for 48h; Yield given;

: 74199-09-0, 79236-92-3
cis-13-1,4,7,10-tetraazatetracyclo<5.5.2.04,14010,13>tetradecane

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrazine hydrate at 100℃; for 20h; Yield given;

: 112-24-3
triethylentetramine

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 90 percent / acetonitrile / 2 h / -7 °C 2: 60 percent / K2CO3 / acetonitrile / 48 h / 60 °C 3: aq. HCl / ethanol / 48 h / 60 °C View Scheme
Multi-step reaction with 3 steps 1: potassium carbonate / water; acetone / 5 h / -2 - 0 °C 2: potassium carbonate / N,N-dimethyl-formamide / 24 h / 35 °C 3: sulfuric acid / water / 24 h / 80 °C View Scheme

: 214195-92-3
5a,8b-dimethyloctahydro-2a,5,6,8a-tetraazaacenaphthylene

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60 percent / K2CO3 / acetonitrile / 48 h / 60 °C 2: aq. HCl / ethanol / 48 h / 60 °C View Scheme

: 55442-07-4
N,N',N'',N'''-tetrakis-(p-tolylsulphonyl)-triethylenetetramine

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) sodium hydride / 1.) DMF, 2.) DMF, 110 deg C, 6 h 2: 1.) sulphuric acid, 2.) hydrochloric acid / 1.) 100 deg C, 48 h View Scheme
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 35 °C 2: sulfuric acid / water / 24 h / 80 °C View Scheme

: 215540-27-5
3H,6H-2a,5,6,8a-octahydrotetraaza-acenaphthylene

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium carbonate; potassium iodide / acetonitrile / 3.67 h / 40 - 75 °C / Inert atmosphere 2: hydrogenchloride; hydrazine hydrate / water / pH 3 - Ca. 3.5 / Reflux View Scheme

: 8b-methyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthylene

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In water at 80 - 100℃; for 3h;	301 g

: 10045-25-7
1,4,7,10-tetraazacyclododecane tetrahydrochloride

: 541-41-3
chloroformic acid ethyl ester

: 162148-43-8
1,7-bis(ethoxycarbonyl)-1,4,7,10-tetraazacyclododecane

Conditions

Conditions	Yield
With sodium hydroxide	98%

Raw Materials

52667-88-6

55442-07-4

112-24-3

Downstream Products

294-90-6

Total:105 Page 1 of 3 1 2 3 Next>>

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Specification

The 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4), with the CAS registry number 10045-25-7, is also known as Tetrahydrochloride. It belongs to the product categories of Analytical Chemistry; Azacrown Ethers; Crown Ethers; Functional Materials; Ligands for Pharmaceutical Research; Macrocycles for Host-Guest Chemistry; Magnetic Resonance Imaging (Chelating Reagents); Ring Systems. This chemical's molecular formula is C₈H₂₄C_l4N₄ and molecular weight is 318.11. What's more, its systematic name is 1, 4, 7, 10-Tetraazacyclododecane tetrahydrochloride. And the chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4) are: (1)ACD/LogP: -2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6; (4)ACD/LogD (pH 7.4): -6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Flash Point: 129.5 °C; (14)Enthalpy of Vaporization: 52.28 kJ/mol; (15)Boiling Point: 283.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00309 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.Cl.Cl.N1CCNCCNCCNCC1
(2) InChI: InChI=1/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H
(3) InChIKey: SBWLCGZEBQGYRP-UHFFFAOYAH