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321-30-2

Basic Information
CAS No.: 321-30-2
Name: Adenine sulfate
Molecular Structure:
Molecular Structure of 321-30-2 (Adenine sulfate)
Formula: C10H12N10O4S
Molecular Weight: 368.33
Synonyms: 1H-Purin-6-amine,sulfate (2:1) (9CI);Adenine, sulfate (2:1) (8CI);Adenine hemisulfate;Adeninium sulfate;Adenine Purine sulphate;9H-Purin-6-amine,sulfate (2:1);
EINECS: 206-286-5
Density:
Melting Point: 285 °C (dec.)(lit.)
Boiling Point: 553.5 °C at 760 mmHg
Flash Point: 322.7 °C
Solubility: 0.4 g/100 mL in water
Appearance: white to light yellow crystal powder
Hazard Symbols: HarmfulXn
Risk Codes: 22-20/21/22
Safety: 22-24/25-36
Transport Information:
PSA: 243.94000
LogP: 1.46060
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Chemistry

Molecular Structure of Adenine sulfate (CAS NO.321-30-2):

IUPAC Name: 7H-Purin-6-amine; sulfuric acid
Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)N.C1=NC2=C(N1)C(=NC=N2)N.OS(=O)(=O)O
InChI: InChI=1S/2C5H5N5.H2O4S/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)
InChIKey: LQXHSCOPYJCOMD-UHFFFAOYSA-N
Molecular Weight: 368.33188 [g/mol]
Molecular Formula: C10H12N10O4S
H-Bond Donor: 6
H-Bond Acceptor: 12 
EINECS: 206-286-5
Appearance: white to light yellow crystal powder
Melting Point: 285 °C (dec.)(lit.)
Flash Point: 322.7 °C
Enthalpy of Vaporization: 83.43 kJ/mol
Boiling Point: 553.5 °C at 760 mmHg
Vapour Pressure: 2.71E-12 mmHg at 25 °C
storage temp.: Store at RT.
solubility: 0.5 M HCl: 10 mg/mL
Water Solubility: 0.4 g/100 mL
Classification Code: Drug / Therapeutic Agent
Product Categories: Pharmaceutical Intermediates; Biochemistry; Cytokinins; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Plant Growth Regulators; Vitamins and derivatives

Uses

  Adenine sulfate (CAS NO.321-30-2) is used as the biochemical reagent.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Toxicology and Applied Pharmacology. Vol. 47, Pg. 229, 1979.
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 232, Pg. 302, 1978.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes of Adenine sulfate (CAS NO.321-30-2): HarmfulXn
Risk Statements: 20/21/22 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-24/25-36 
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes. 
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: AU7140000
F: 8
Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

 Adenine sulfate (CAS NO.321-30-2), its Synonyms are Adenine hemisulfate ; Adenine sulfate (2:1) ; Adeninium sulfate ; Adeninsulfat ; 1H-Purin-6-amine, sulfate (2:1) ; 9H-Purin-6-amine, sulfate (2:1) ; Diadenine sulphate .