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Home> Encyclopedia > Hot Product Listed 6   > 6-Aminouracil
873-83-6 structure

6-Aminouracil

Iupac Name:6-amino-1H-pyrimidine-2,4-dione
CAS No.:873-83-6
EINECS(EC#): 212-854-3
Molecular Weight:127.1
Molecular Formula:C4H5N3O2 (isomer)
Names and Identifiers
Synonyms

4(6)-AMINOURACIL 4-ADHP 4-AMINO-2,6-DIHYDROXYPYRIMIDINE 4-AMINOURACIL 6-AMINO-2,4-DIHYDROXY-PYRIMIDINE 6-AMINO-2,4-PYRIMIDINEDIOL AURORA KA-377

Inchi
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChkey
LNDZXOWGUAIUBG-UHFFFAOYSA-N
Canonical Smiles
C1=C(NC(=O)NC1=O)N
Properties
Appearance
fine off-white crystalline powder
Density
1.4748 (rough estimate)
Melting Point
≥360 °C(lit.)
Boiling Point
235.85°C (rough estimate)
Refractive Index
1.5000 (estimate)
Flash Point
580.4 oC at 760 mmHg
Solubility
slightly soluble in water
Color/Form
Cream to light brown
Stability
Stable under normal temperatures and pressures.
HS Code
29335995
Storage temp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Safety Statements
22-24/25
Safety

Safety Statements: 22-24/25?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS of 6-Aminouracil (CAS NO.873-83-6): YQ8750000

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1250mg/kg (1250mg/kg) ? Pharmaceutical Chemistry Journal Vol. 30, Pg. 320, 1996.
mouse LDLo parenteral 2400mg/kg (2400mg/kg) ? "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 696, 1955.

Specification

?6-Aminouracil (CAS NO.873-83-6), its Synonyms are 2,4(1H,3H)-Pyrimidinedione, 6-amino- ; 4-Amino-2,6-dihydroxylpyrimidine ; 4-Amino-2,6-dihydroxypyrimidine ; 4-Amino-2,6-dioxypyrimidine ; 4-Amino-2,6-pyrimidinediol ; 4-Aminouracil ; 6-Amino-2,4-dihydroxypyrimidine ; 6-Amino-2,4-pyrimidinediol ; Uracil, 6-amino- ; Uracil, 6-amino- (VAN) (8CI) . It is cream to light brown crystalline powder.

Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:127.1g/mol
  • Molecular Formula:C4H5N3O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.6
  • Exact Mass:127.038
  • Monoisotopic Mass:127.038
  • Complexity:196
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:84.2A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQAAAACACBgAABAALAAACI ACFSUACAAAAAAgAAAAAAAECAAAAAAAAAAAAIFSIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Tel:86-571-85829152
  • Fax:86-571-85829153
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