CAS No.645-92-1,AMMELINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	645-92-1
Name:	AMMELINE
Article Data:	89

Formula:	C₃H₅N₅O
Molecular Weight:	127.106
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);
EINECS:	211-455-1
Density:	2.22 g/cm³
Melting Point:	>300?C (dec.)
Boiling Point:	301.2 °C at 760 mmHg
Flash Point:	136 °C
Solubility:	75mg/L(23 oC)
Safety:	22-24/25
PSA:	110.94000
LogP:	-0.09600

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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