686301-48-4

Name 5-{[2-(6-AMINO-9H-PURIN-9-YL)ETHYL]AMINO}-1-PENTANOL
CAS 686301-48-4
Molecular Formula C12H20N6O
MDL Number MFCD03086724
Molecular Weight 264.327
MOL File 686301-48-4.mol
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Chemical Properties

Appearance Off-White to Pale Pink Solid
Melting point  146-148°C
Boiling point  521.3±60.0 °C(Predicted)
density  1.37±0.1 g/cm3(Predicted)
storage temp.  -20?C Freezer
solubility  H2O: ≥24mg/mL
form  powder
pka 15.17±0.10(Predicted)
color  white to tan
Water Solubility  H2O: ≥24mg/mL
InChI 1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)
InChIKey CVPTTZZCRDVGSU-UHFFFAOYSA-N
SMILES Nc1ncnc2n(CCNCCCCCO)cnc12

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301
Precautionary statements  P301+P310
Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

Hazard Information

Spectrum Detail

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