Product Name

  • Name

    6-AZACYTIDINE

  • EINECS
  • CAS No. 3131-60-0
  • Article Data12
  • CAS DataBase
  • Density 2.08 g/cm3
  • Solubility
  • Melting Point 215 °C
  • Formula C8H12 N4 O5
  • Boiling Point 534.5 °C at 760 mmHg
  • Molecular Weight 244.207
  • Flash Point 277 °C
  • Transport Information
  • Appearance white crystalline powder
  • Safety Mildly toxic by intraperitoneal route. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 3131-60-0 (6-AZACYTIDINE)
  • Hazard Symbols
  • Synonyms as-Triazin-3(2H)-one,5-amino-2-b-D-ribofuranosyl- (6CI,7CI,8CI);5-Amino-1,2,4-triazin-3-one 2-b-D-ribofuranoside; 6-Azacytidine; NSC 524767
  • PSA 143.72000
  • LogP -2.58680

5-Amino-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-one Chemical Properties

IUPAC Name: 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one 
Molecular Formula C8H12N4O5
Molecular Weight 244.20468g/mol
XLogP3: -2.5
H-Bond Donor: 4
H-Bond Acceptor: 7
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 244.08077
MonoIsotopic Mass: 244.08077
Topological Polar Surface Area: 141
Heavy Atom Count: 17
Formal Charge: 0
Complexity: 384 
Index of Refraction: 1.823
Molar Refractivity: 51.08 cm3
Molar Volume: 117 cm3
Polarizability: 20.25×10-24cm3
Surface Tension: 106.7 dyne/cm
Density: 2.08 g/cm3
Flash Point: 277 °C
Enthalpy of Vaporization: 93.24 kJ/mol
Boiling Point: 534.5 °C at 760 mmHg
Vapour Pressure: 1.18E-13 mmHg at 25°C
Canonical SMILES: C1=NN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
Isomeric SMILES: C1=NN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C8H12N4O5/c9-4-1-10-12(8(16)11-4)7-6(15)5(14)3(2-13)17-7/h1,3,5-7,13-15H,2H2,(H2,9,11,16)/t3-,5-,6-,7-/m1/s1
InChIKey: OZQDLJNDRVBCST-SHUUEZRQSA-N
Structure of 5-Amino-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-one (CAS NO.3131-60-0):

5-Amino-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-one Toxicity Data With Reference

1.    

sln-dmg-par 21 mmol/L

     BCPCA6    Biochemical Pharmacology. 15 (1966),299.
2.    

ipr-rat LD50:9200 mg/kg

     RPTOAN    Russian Pharmacology and Toxicology. Translation of FATOAO. 50 (1987),50.
3.    

ipr-mus LD50:14 g/kg

     BCPCA6    Biochemical Pharmacology. 14 (1965),1517.

5-Amino-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-one Safety Profile

Mildly toxic by intraperitoneal route. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

5-Amino-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-one Specification

  5-Amino-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-one , its cas register number is 3131-60-0. It also can be called 1,2,4-Triazin-3(2H)-one, 5-amino-2beta-D-ribofuranosyl ; 6-Azacytidine ; CCRIS 6742 ; NSC 524767 ; as-Triazin-3(2H)-one, 4,5-dihydro-5-imino-2-beta-D-ribofuranosyl- ; as-Triazin-3(2H)-one, 5-amino-2-beta-D-ribofuranosyl- . When heated to decomposition it emits toxic fumes of NOx.  5-Amino-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-one (CAS NO.3131-60-0) is an aminoalcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic.

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