97845-60-8

Name 9-(4-Acetoxy-3-acetoxymethylbutyl)-2-amino-6-chloropurine
CAS 97845-60-8
EINECS(EC#) 619-293-7
Molecular Formula C14H18ClN5O4
MDL Number MFCD08458206
Molecular Weight 355.78
MOL File 97845-60-8.mol
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Chemical Properties

Melting point  132-134 °C(Solv: isopropanol (67-63-0))
Boiling point  575.0±60.0 °C(Predicted)
density  1.49±0.1 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 2.23±0.10(Predicted)
color  Off-White to Light Yellow
Major Application pharmaceutical small molecule
InChI InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,10H,3-6H2,1-2H3,(H2,16,18,19)
InChIKey KXPSHSVVYGZKAV-UHFFFAOYSA-N
SMILES C(OC(=O)C)C(CCN1C2C(N=C1)=C(Cl)N=C(N)N=2)COC(=O)C
LogP 0.92 at 25℃ and pH9.1
CAS DataBase Reference 97845-60-8(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
REACH Registrations Inactive

Hazard Information

Spectrum Detail

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