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CAS No.: | 931-86-2 |
---|---|
Name: | 5-Azacytosine |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C3H4N4O |
Molecular Weight: | 112.091 |
Synonyms: | 4-amino-3H-1,3,5-triazin-2-one;4-Amino-1,3,5-triazin-2(1H)-one;4-Amino-1,3,5-triazin-2-one;1,3,5-Triazin-2(1H)-one, 4-amino-;s-Triazin-2(1H)-one, 4-amino-;4040-10-2;s-Triazin-2-ol, 4-amino-;4-amino-[1,3,5]triazin-2-ol; |
EINECS: | 213-242-9 |
Density: | 1.86 g/cm3 |
Melting Point: | >300 °C(lit.) |
Boiling Point: | 503.1 °C at 760 mmHg |
Flash Point: | 258.1 °C |
Appearance: | crystalline solid |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 22-24/25-36-26 |
PSA: | 84.66000 |
LogP: | -0.67170 |
Conditions | Yield |
---|---|
With sodium methylate In methanol at 40 - 50℃; for 4h; Large scale; | 90% |
Stage #1: guanylurea formate With sodium methylate In methanol at 25 - 35℃; for 0.0833333h; Stage #2: N,N-dimethyl-formamide dimethyl acetal In methanol at 28 - 50℃; |
Conditions | Yield |
---|---|
Stage #1: formic acid; N-Cyanoguanidine With toluene-4-sulfonic acid at 110℃; Autoclave; Large scale; Stage #2: With hydrogenchloride In water for 0.5h; Temperature; Reagent/catalyst; Reflux; Large scale; | 85% |
Conditions | Yield |
---|---|
at 115℃; for 2h; | 80% |
Conditions | Yield |
---|---|
at 115℃; for 2h; | 75% |
Conditions | Yield |
---|---|
at 115℃; for 2h; Temperature; | 73% |
Conditions | Yield |
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In hydrogenchloride; methanol for 0.5h; Heating; |
5-aza-2'-deoxycytidine
A
5-azacytosine
Conditions | Yield |
---|---|
With water at 20℃; Acidic aqueous solution; |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 155℃; for 1.5h; |
5-azacytosine
1,1,1,3,3,3-hexamethyl-disilazane
2-(trimethylsilylamino)-4-(trimethylsilyloxy)-s-triazine
Conditions | Yield |
---|---|
With ammonium sulfate for 8h; Product distribution / selectivity; Reflux; | 98% |
at 145 - 150℃; for 20h; Concentration; | 96% |
With ammonium sulfate at 120 - 150℃; | 95.7% |
5-azacytosine
(S)-tritylglycidol
1-[(2S)-2-hydroxy-3-(triphenylmethoxy)propyl]-5-azacytosine
Conditions | Yield |
---|---|
With sodium hydroxide In dimethyl sulfoxide at 120℃; for 10h; | 83% |
With sodium hydroxide In dimethyl sulfoxide at 120℃; for 10h; | 83% |
Molecular Structure of 5-Azacytosine (CAS NO. 931-86-2):
IUPAC Name: 6-Amino-1H-1,3,5-triazin-2-one
Molecular Formula: C3H4N4O
Molecular Weight: 112.090060 g/mol
Index of Refraction: 1.801
Molar Refractivity: 25.74 cm3
Molar Volume: 60.1 cm3
Surface Tension: 94.3 dyne/cm
Density: 1.86 g/cm3
Flash Point: 258.1 °C
Enthalpy of Vaporization: 80.15 kJ/mol
Boiling Point: 503.1 °C at 760 mmHg
Vapour Pressure: 9.61E-11 mmHg at 25 °C
Melting Point: >300 °C(lit.)
BRN: 116378
EINECS: 213-242-9
Product Categories: Amino Acids;Heterocyclic Compounds;All Inhibitors;Pyrimidines;Bases & Related Reagents;Inhibitors;Nucleotides
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
quail | LD50 | oral | > 316mg/kg (316mg/kg) | Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982. |
Safety Information of 5-Azacytosine (CAS NO. 931-86-2):
Hazard Codes: Xi,Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 22-24/25-36-26
S22:Do not breathe dust
S24/25:Avoid contact with skin and eyes
S36:Wear suitable protective clothing
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
RTECS: XZ2854300
5-Azacytosine with cas registry number of 931-86-2 is crystalline solid, also called 4-Amino-1,3,5-triazin-2(1H)-one ; s-Triazin-2(1H)-one, 4-amino- ; s-Triazin-2-ol, 4-amino- ; 1,3,5-Triazin-2(1H)-one, 4-amino- ; 4-Amino-1,3,5-triazin-2-one . It can be used to inhibit the growth of Escherichia coli.