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Name |
4,5,6-Triaminopyrimidine sulfate |
EINECS | 256-446-3 |
CAS No. | 49721-45-1 | Density | 1.512g/cm3 |
PSA | 186.82000 | LogP | 1.39480 |
Solubility | N/A | Melting Point |
>300 °C(lit.) |
Formula | C4H9N5O4S | Boiling Point | 406.2ºC at 760mmHg |
Molecular Weight | 223.213 | Flash Point | 228.5ºC |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Pyrimidine-4,5,6-triamine sulphate (1:1); |
Article Data | 1 |
4,6-diamino-5-nitrosylpyrimidine
4,5,6-triaminopyrimidine sulfate
Conditions | Yield |
---|---|
With sodium dithionite; sulfuric acid In water at 20 - 80℃; |
Conditions | Yield |
---|---|
With water; sodium hydrogencarbonate In ethanol for 72h; Reflux; Inert atmosphere; | 100% |
With sodium hydrogencarbonate In ethanol; water for 3h; Reflux; | 58% |
With sodium hydrogencarbonate In ethanol for 72h; Heating; |
(4-hydroxylphenyl)glyoxal
4,5,6-triaminopyrimidine sulfate
4-(4-amino-pteridin-7-yl)-phenol
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water | 100% |
4,5,6-triaminopyrimidine sulfate
4,5,6-triaminopyrimidine
Conditions | Yield |
---|---|
Stage #1: 4,5,6-triaminopyrimidine sulfate With sodium hydroxide; water at 80℃; Stage #2: With hydrogenchloride; water at 0 - 5℃; pH=7.0; | 99% |
With sodium hydroxide In water at 80℃; | 3.69 g |
bis(3-hydroxyphenyl)ethane-1,2-dione
4,5,6-triaminopyrimidine sulfate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In diethyl ether; water | 94.8% |
benzpyrene-6-carbaldehyde
4,5,6-triaminopyrimidine sulfate
Conditions | Yield |
---|---|
With air In dimethyl sulfoxide at 90℃; for 2h; | 88% |
Conditions | Yield |
---|---|
at 230℃; for 6h; | 82% |
at 240℃; for 6h; | 11% |
4,5,6-triaminopyrimidine sulfate
4-chlorobenzoyl chloride
4,6-diamino-5-<(4-bromobenzoyl)amino>pyrimidine
Conditions | Yield |
---|---|
With sodium hydroxide for 1h; | 75% |
7-methylbenzanthracene carboxaldehyde
4,5,6-triaminopyrimidine sulfate
Conditions | Yield |
---|---|
With air In dimethyl sulfoxide at 90℃; for 2h; | 75% |
dibenzo[def,p]chrysene-10-carboxaldehyde
4,5,6-triaminopyrimidine sulfate
Conditions | Yield |
---|---|
With air In dimethyl sulfoxide at 90℃; for 2h; | 75% |
The 4,5,6-Pyrimidinetriamine, sulfate (1:1), with the CAS registry number 49721-45-1 and EINECS registry number 256-446-3, has the systematic name of pyrimidine-4,5,6-triamine sulfate (1:1). It belongs to the following product categories: Building Blocks; Heterocyclic Building Blocks; Pyrimidines; Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. And the molecular formula of the chemical is C4H9N5O4S.
The characteristics of 4,5,6-Pyrimidinetriamine, sulfate (1:1) are as followings: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.91; (8)ACD/KOC (pH 7.4): 10.89; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.5 Å2; (13)Flash Point: 228.5 °C; (14)Enthalpy of Vaporization: 65.79 kJ/mol; (15)Boiling Point: 406.2 °C at 760 mmHg; (16)Vapour Pressure: 8.28E-07 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)O.n1c(N)c(N)c(nc1)N
(2)InChI: InChI=1/C4H7N5.H2O4S/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4)
(3)InChIKey: RKJICTKHLYLPLY-UHFFFAOYAD