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931-86-2

Basic Information
CAS No.: 931-86-2
Name: 5-Azacytosine
Article Data: 24
Molecular Structure:
Molecular Structure of 931-86-2 (5-Azacytosine)
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: IrritantXi,HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 22-24/25-36-26
PSA: 84.66000
LogP: -0.67170
Synthetic route
10043-39-7

guanylurea formate

4637-24-5

N,N-dimethyl-formamide dimethyl acetal

931-86-2

5-azacytosine

Conditions
ConditionsYield
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℃;
64-18-6

formic acid

127099-85-8, 780722-26-1

N-Cyanoguanidine

931-86-2

5-azacytosine

Conditions
ConditionsYield
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%
110-74-7

propyl methanoate

56563-07-6

N-cyanoacetamidine

931-86-2

5-azacytosine

Conditions
ConditionsYield
at 115℃; for 2h;80%
56563-07-6

N-cyanoacetamidine

109-94-4

formic acid ethyl ester

931-86-2

5-azacytosine

Conditions
ConditionsYield
at 115℃; for 2h;75%
107-31-3

Methyl formate

56563-07-6

N-cyanoacetamidine

931-86-2

5-azacytosine

Conditions
ConditionsYield
at 115℃; for 2h; Temperature;73%
7709-13-9

4-amino-2-chloro-1,3,5-triazine

931-86-2

5-azacytosine

Conditions
ConditionsYield
In hydrogenchloride; methanol for 0.5h; Heating;
Conditions
ConditionsYield
With water at 20℃; Acidic aqueous solution;
141-83-3

carbamimidoylurea

122-51-0

orthoformic acid triethyl ester

931-86-2

5-azacytosine

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 155℃; for 1.5h;
931-86-2

5-azacytosine

999-97-3

1,1,1,3,3,3-hexamethyl-disilazane

52523-35-0

2-(trimethylsilylamino)-4-(trimethylsilyloxy)-s-triazine

Conditions
ConditionsYield
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%
931-86-2

5-azacytosine

129940-50-7

(S)-tritylglycidol

933460-54-9

1-[(2S)-2-hydroxy-3-(triphenylmethoxy)propyl]-5-azacytosine

Conditions
ConditionsYield
With sodium hydroxide In dimethyl sulfoxide at 120℃; for 10h;83%
With sodium hydroxide In dimethyl sulfoxide at 120℃; for 10h;83%
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    Name 5-Azacytosine Synonyms 2-Amino-4-hydroxy-1,3,5-triazine; 4-Amino-1,3,5-triazin-2-one Molecular Structure

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    supplier in China Appearance:Crystalline Solid Storage:Keep away of light,cool place Package:100g/bottle,1kg/bottle,25kg/drum or as per your request Application:Inhibits the growth of Escherichia coli Transportation:BY SEA Port:Shanghai, Ningbo

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    Product name: 5-Azacytosine CAS No.: 931-86-2 Molecule Formula:C3H6N4O Molecule Weight:114.11 Purity: 98.0% Package: 25kg/drum Description:White crystalline powder Manufacture Standards:Enterprise Standard TESTING

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Chemistry

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

Toxicity Data With Reference

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 Profile

Safety Information of 5-Azacytosine (CAS NO. 931-86-2):
Hazard Codes: Xi,Xn Harmful
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

Specification

  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.