68892-42-2

Name N2-Isobutyryl-2'-deoxyguanosine
CAS 68892-42-2
EINECS(EC#) 2017-001-1
Molecular Formula C14H19N5O5
MDL Number MFCD00010060
Molecular Weight 337.33
MOL File 68892-42-2.mol
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Chemical Properties

Melting point  ≥300 °C
density  1.72±0.1 g/cm3(Predicted)
storage temp.  −20°C
form  powder to crystal
pka 9.16±0.20(Predicted)
color  White to Almost white
InChI InChI=1S/C14H19N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-9,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,9+/m0/s1
InChIKey SIDXEQFMTMICKG-DJLDLDEBSA-N
SMILES OC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)NC(=O)C(C)C)=O)N=C2)C[C@@H]1O
CAS DataBase Reference 68892-42-2(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
F  1-3-10
HS Code  29349990

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