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4,5,6-Triaminopyrimidine sulfate

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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 Molecular Structure of 49721-45-1 (4,5,6-Triaminopyrimidine sulfate) Hazard Symbols IrritantXi
Synonyms

Pyrimidine-4,5,6-triamine sulphate (1:1);

Article Data 1

4,5,6-Triaminopyrimidine sulfate Synthetic route

61908-15-4

4,6-diamino-5-nitrosylpyrimidine

49721-45-1

4,5,6-triaminopyrimidine sulfate

Conditions
ConditionsYield
With sodium dithionite; sulfuric acid In water at 20 - 80℃;
75-15-0

carbon disulfide

49721-45-1

4,5,6-triaminopyrimidine sulfate

7390-62-7

8-mercaptoadenine

Conditions
ConditionsYield
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
ConditionsYield
With sodium hydroxide In methanol; water100%
49721-45-1

4,5,6-triaminopyrimidine sulfate

118-70-7

4,5,6-triaminopyrimidine

Conditions
ConditionsYield
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

6,7-bis(3-hydroxyphenyl)-pteridine-4-ylamine

Conditions
ConditionsYield
With sodium hydrogencarbonate In diethyl ether; water94.8%
13312-42-0

benzpyrene-6-carbaldehyde

49721-45-1

4,5,6-triaminopyrimidine sulfate

8-(6-benzo[a]pyrenyl)adenine

Conditions
ConditionsYield
With air In dimethyl sulfoxide at 90℃; for 2h;88%
60-35-5

acetamide

49721-45-1

4,5,6-triaminopyrimidine sulfate

22387-37-7

8-methyl-9H-purin-6-ylamine

Conditions
ConditionsYield
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
ConditionsYield
With sodium hydroxide for 1h;75%
7505-62-6

7-methylbenzanthracene carboxaldehyde

49721-45-1

4,5,6-triaminopyrimidine sulfate

8-(7-benz[a]anthracenyl)adenine

Conditions
ConditionsYield
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

8-(10-dibenzo[def,p]chrysenyl)adenine

Conditions
ConditionsYield
With air In dimethyl sulfoxide at 90℃; for 2h;75%

4,5,6-Triaminopyrimidine sulfate 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

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