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360-97-4

Name 5-Amino-4-imidazolecarboxamide
CAS 360-97-4
EINECS(EC#) 206-641-4
Molecular Formula C4H6N4O
MDL Number MFCD02181040
Molecular Weight 126.12
MOL File 360-97-4.mol
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Chemical Properties

Appearance White to Off-White Solid
Melting point  164-170 °C(lit.)
Boiling point  234.22°C (rough estimate)
density  1.3659 (rough estimate)
refractive index  1.8500 (estimate)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form  Powder
pka 11.97±0.10(Predicted)
color  White
Water Solubility  Soluble in DMSO, Methanol, Water.
Usage A metabolite of Temozolomide
InChI InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
InChIKey DVNYTAVYBRSTGK-UHFFFAOYSA-N
SMILES C1NC(N)=C(C(N)=O)N=1
CAS DataBase Reference 360-97-4(CAS DataBase Reference)
EPA Substance Registry System 360-97-4(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  NI3910000
TSCA  Yes
HS Code  29332900

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