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CAS No.: | 3089-11-0 |
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Name: | 2,4,6-TRIS[BIS(METHOXYMETHYL)AMINO]-1,3,5-TRIAZINE |
Molecular Structure: | |
Formula: | C15H30N6O6 |
Molecular Weight: | 390.44 |
Synonyms: | 1,3,5-Triazine-2,4,6-triamine,N,N,N',N',N'',N''-hexakis(methoxymethyl)- (9CI);Melamine,hexakis(methoxymethyl)- (6CI,8CI);BTC 101;Dow Corning 25;Hexa(methoxymethyl)melamine;Hexakis(methoxymethyl)melamine;Hexamethylmethylolmelamine;Hexamethylolmelamine hexamethyl ether;N,N,N',N',N'',N''-Hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;1,3,5-Triazine-2,4,6-triamine,N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-;HMMM;1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N'',N''-hexakis(methoxymethyl)-;1,3,5-Triazine-2,4,6-triamine, N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-;Hexakis(methoxymethyl)melamine; |
EINECS: | 221-422-3 |
Density: | 1.219 g/cm3 |
Melting Point: | 49 °C |
Boiling Point: | 487 °C at 760 mmHg |
Flash Point: | 248.3 °C |
PSA: | 103.77000 |
LogP: | -0.08580 |
methanol
hexa(hydroxymethyl)melamine
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Conditions | Yield |
---|---|
With hydrogenchloride | |
With nitric acid In water at 45 - 55℃; for 1.5h; pH=1.5 - 3.8; Product distribution / selectivity; | |
With hydrogenchloride In water at 35℃; for 2h; pH=2.5; pH-value; Temperature; |
N,N-bis(2-hydroxylethyl)aminomethylphosphonic acid diethyl ester
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 130℃; for 11h; Inert atmosphere; | 98% |
N,N-bis(2-hydroxylethyl)aminomethylphosphonic acid diethyl ester
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
ethylene glycol
Conditions | Yield |
---|---|
Stage #1: N,N-bis(2-hydroxylethyl)aminomethylphosphonic acid diethyl ester; hexakis-N-methoxymethyl-[1,3,5]triazine-2,4,6-triamine With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 125℃; for 4h; Inert atmosphere; Stage #2: ethylene glycol In N,N-dimethyl-formamide at 95℃; for 4h; Inert atmosphere; | 97% |
N,N-bis(2-hydroxylethyl)aminomethylphosphonic acid diethyl ester
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 125℃; for 7h; Inert atmosphere; | 97% |
Butane-1,4-diol
N,N-bis(2-hydroxylethyl)aminomethylphosphonic acid diethyl ester
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Conditions | Yield |
---|---|
Stage #1: N,N-bis(2-hydroxylethyl)aminomethylphosphonic acid diethyl ester; hexakis-N-methoxymethyl-[1,3,5]triazine-2,4,6-triamine With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 120℃; for 2h; Inert atmosphere; Stage #2: Butane-1,4-diol In N,N-dimethyl-formamide at 100℃; for 2h; Inert atmosphere; | 95% |
N,N-bis(2-hydroxylethyl)aminomethylphosphonic acid diethyl ester
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 120℃; for 3h; Inert atmosphere; | 95% |
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide
N,N,N',N',N'',N''-Hexakis-(10-oxo-10H-9-oxa-10λ5-phospha-phenanthren-10-ylmethyl)-[1,3,5]triazine-2,4,6-triamine
Conditions | Yield |
---|---|
With benzenesulfonic acid at 170 - 235℃; Temperature; | 89% |
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Conditions | Yield |
---|---|
With nitric acid; acetic anhydride; acetic acid at 25℃; for 72h; Reagent/catalyst; | A 27.3% B 41.2% |
BPA
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
A
methanol
divinylcarbinol
N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene at 110℃; Inert atmosphere; |
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Reported in EPA TSCA Inventory.
The 2,4,6-Tris[Bis(Methoxymethyl)Amino]-1,3,5-Triazine, with the CAS registry number 3089-11-0 and EINECS registry number 221-422-3, has the systematic name of N,N,N',N',N'',N''-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine. It is a kind of stable organics, and the molecular formula of the chemical is C15H30N6O6.
The physical properties of 2,4,6-Tris[Bis(Methoxymethyl)Amino]-1,3,5-Triazine are as followings: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.07; (5)ACD/BCF (pH 5.5): 123.85; (6)ACD/BCF (pH 7.4): 126.28; (7)ACD/KOC (pH 5.5): 1089.62; (8)ACD/KOC (pH 7.4): 1111; (9)#H bond acceptors: 12; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 103.77 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 101.73 cm3; (15)Molar Volume: 320.2 cm3; (16)Polarizability: 40.33×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 248.3 °C; (20)Enthalpy of Vaporization: 75.28 kJ/mol; (21)Boiling Point: 487 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CN(c1nc(nc(n1)N(COC)COC)N(COC)COC)COC)C
(2)InChI: InChI=1/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3
(3)InChIKey: BNCADMBVWNPPIZ-UHFFFAOYAK
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1050mg/kg (1050mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 119, 1956. | |
rat | LD | oral | > 17gm/kg (17000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0533727, |
rat | LD50 | intraperitoneal | 550mg/kg (550mg/kg) | Archiv der Pharmazie Vol. 306, Pg. 274, 1973. |