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| CAS No.: | 49721-45-1 |
|---|---|
| Name: | 4,5,6-Triaminopyrimidine sulfate |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H9N5O4S |
| Molecular Weight: | 223.213 |
| Synonyms: | Pyrimidine-4,5,6-triamine sulphate (1:1); |
| EINECS: | 256-446-3 |
| Density: | 1.512g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 406.2ºC at 760mmHg |
| Flash Point: | 228.5ºC |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 186.82000 |
| LogP: | 1.39480 |
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4,6-diamino-5-nitrosylpyrimidine
- 49721-45-1
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; |
- 24645-80-5
(4-hydroxylphenyl)glyoxal
- 49721-45-1
4,5,6-triaminopyrimidine sulfate
- 677297-48-2
4-(4-amino-pteridin-7-yl)-phenol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water | 100% |
- 49721-45-1
4,5,6-triaminopyrimidine sulfate
- 118-70-7
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 |
- 63192-57-4
bis(3-hydroxyphenyl)ethane-1,2-dione
- 49721-45-1
4,5,6-triaminopyrimidine sulfate
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In diethyl ether; water | 94.8% |
- 13312-42-0
benzpyrene-6-carbaldehyde
- 49721-45-1
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% |
- 49721-45-1
4,5,6-triaminopyrimidine sulfate
- 586-75-4
4-chlorobenzoyl chloride
- 77071-06-8
4,6-diamino-5-<(4-bromobenzoyl)amino>pyrimidine
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 1h; | 75% |
- 7505-62-6
7-methylbenzanthracene carboxaldehyde
- 49721-45-1
4,5,6-triaminopyrimidine sulfate
| Conditions | Yield |
|---|---|
| With air In dimethyl sulfoxide at 90℃; for 2h; | 75% |
- 2869-59-2
dibenzo[def,p]chrysene-10-carboxaldehyde
- 49721-45-1
4,5,6-triaminopyrimidine sulfate
| Conditions | Yield |
|---|---|
| With air In dimethyl sulfoxide at 90℃; for 2h; | 75% |
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Specification
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