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1,3,5-Triazin-2(1H)-one,4,6-diamino-

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Name

1,3,5-Triazin-2(1H)-one,4,6-diamino-

EINECS 211-455-1
CAS No. 645-92-1 Density 2.22 g/cm3
PSA 110.94000 LogP -0.09600
Solubility 75mg/L(23 oC) Melting Point >300?C (dec.)
Formula C3H5N5O Boiling Point 301.2 °C at 760 mmHg
Molecular Weight 127.106 Flash Point 136 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 645-92-1 (AMMELINE) Hazard Symbols N/A
Synonyms

Ammeline(6CI);2,4-Diamino-6-hydroxy-1,3,5-triazine;2,4-Diamino-6-hydroxy-s-triazine;2-Hydroxy-4,6-diamino-s-triazine;2-Hydroxydesethyldesisopropylatrazine;4,6-Diamino-2-hydroxy-s-triazine;Ammelin;Deethyldeisopropylhydroxyyatrazine;GS 11791;NSC 9778;s-Diaminohydroxytriazine;s-Triazin-2-ol, 4,6-diamino-(8CI);2,4-Diamino-1,3,5-triazin-6-one;s-Triazin-2(1H)-one, 4,6-diamino- (7CI);

Article Data 89

1,3,5-Triazin-2(1H)-one,4,6-diamino- Specification

The CAS register number of 1,3,5-Triazin-2(1H)-one,4,6-diamino- is 645-92-1. It also can be called as 2-Hydroxy-4,6-diamino-s-triazine and the systematic name about this chemical is 4,6-diamino-1,3,5-triazin-2(5H)-one. The molecular formula about this chemical is C3H5N5O and the molecular weight is 127.1.

Physical properties about 1,3,5-Triazin-2(1H)-one,4,6-diamino- are: (1)ACD/LogP: -2.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.04; (4)ACD/LogD (pH 7.4): -4.12; (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: 6; (10)#H bond donors: 5; (11)Polar Surface Area: 51.51 Å2; (12)Index of Refraction: 1.955; (13)Molar Refractivity: 27.65 cm3; (14)Molar Volume: 57 cm3; (15)Polarizability: 10.96x10-24cm3; (16)Surface Tension: 135.5 dyne/cm; (17)Density: 2.22 g/cm3; (18)Flash Point: 136 °C; (19)Enthalpy of Vaporization: 54.13 kJ/mol; (20)Boiling Point: 301.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00107 mmHg at 25 °C.

Preparation: this chemical can be prepared by N,N'',N'''-[1,3,5]triazine-2,4,6-triyl-tri-urea. This reaction will need reagent of alkaline hydrolysis. The yield is about 43%.

When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, do not breathe dust and avoid contact with skin and eyes. If you want to store it, keep the container tightly closed and sealed in dry and cool places. It should keep away from oxide.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1/N=C(/N)NC(=N/1)/N
(2)InChI: InChI=1/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
(3)InChIKey: MASBWURJQFFLOO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
(5)Std. InChIKey: MASBWURJQFFLOO-UHFFFAOYSA-N

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